76013 <common-name>1-(3-Chloropropyl)-2-methyl-5-nitro-1H-imidazole</common-name> <description nil="true"/> <cas>56894-29-2</cas> <pubchem-id>92560</pubchem-id> <chemical-formula>C7H10Cl1N3O2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-04T05:41:54Z</created-at> <updated-at type="dateTime">2026-04-04T05:41:54Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=NC=C(N1CCCCl)[N+]([O-])=O</moldb-smiles> <moldb-formula>C7H10Cl1N3O2</moldb-formula> <moldb-inchi>InChI=1S/C7H10ClN3O2/c1-6-9-5-7(11(12)13)10(6)4-2-3-8/h5H,2-4H2,1H3</moldb-inchi> <moldb-inchikey>JCQFIQJFPHTLGY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">203.63</moldb-average-mass> <moldb-mono-mass type="decimal">203.046154</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>83565</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM071906</chemdb-id> <dsstox-id>DTXSID20205419</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00033599</susdat-id> <iupac>1-(3-chloropropyl)-2-methyl-5-nitroimidazole</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Imidazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0183449</sync-id> <structure-inchikey>JCQFIQJFPHTLGY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000008000000000000000000000000000000000000000000000000002000000000000000000000000000000020000000000000000000000000000000000020000000000000001000000000400000000000200000000200000000000010000004000180000000000000000000000000000040000000000004000000004000000000001000000000000000000000000000000000000000000000080000000000000000088000000000000000000100000000000000000000080100000000000010000000002000000000000000000000000800000000000040000000010000001000001004000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>3000000102000000000000010820000010040004050000002420700210010c4000201000800001100001000488000804200002008c10010000443000a0000184110400001080401090100000720080000000904221013240000420000000400c200402004002092440001050100202a00080300101c0041118082002100002004801080c400000080002000c08000810048012440034020000880000000024825321000000c000000018c0002ca21002c8000080010800182002000840022000001004046022120481000004011280000000000008402004088204080001000010080000080200000400108000200000100010044000080000000078100412</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`������@(������@(������@h�������@(������@(�������`�������`�������`������� ����� *������� *���ÿ����(�����������h���h���h���h����������� �� � �(���h�B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:09Z</structure-indexed-at> </compound>