Mrv1652303202019012D          

  3  3  0  0  0  0            999 V2000
    0.2382    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507    0.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1743    0.1743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004210

> <DATABASE_NAME>
chemdb

> <SMILES>
C1CN1

> <INCHI_IDENTIFIER>
InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2

> <INCHI_KEY>
NOWKCMXCCJGMRR-UHFFFAOYSA-N

> <FORMULA>
C2H5N

> <MOLECULAR_WEIGHT>
43.0678

> <EXACT_MASS>
43.042199165

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
4.899903295417076

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
aziridine

> <ALOGPS_LOGP>
-1.07

> <JCHEM_LOGP>
-0.364403415

> <ALOGPS_LOGS>
1.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.035344037839952

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
12.7244

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.41e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aziridine

> <JCHEM_VEBER_RULE>
1

> <NAME>
Aziridine

> <CAS>
151-56-4

> <SYNONYMS>
Aziridine, homopolymer; Aziridine, homopolymer, ethoxylated, phosphonomethylated; Ethyleneimine; Glucosidase

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