Mrv1572004191604202D          

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M  END
> <DATABASE_ID>
CHEM015128

> <DATABASE_NAME>
chemdb

> <SMILES>
NNS(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)S(=O)(=O)NN)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H14N4O5S2/c13-15-22(17,18)11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23(19,20)16-14/h1-8,15-16H,13-14H2

> <INCHI_KEY>
NBOCQTNZUPTTEI-UHFFFAOYSA-N

> <FORMULA>
C12H14N4O5S2

> <MOLECULAR_WEIGHT>
358.39

> <EXACT_MASS>
358.040561915

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
32.68818763308051

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-[4-(hydrazinesulfonyl)phenoxy]benzene-1-sulfonohydrazide

> <ALOGPS_LOGP>
1.23

> <JCHEM_LOGP>
0.0926431523333333

> <ALOGPS_LOGS>
-3.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.487954608372121

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.885252499570377

> <JCHEM_PKA_STRONGEST_BASIC>
1.8943257883922802

> <JCHEM_POLAR_SURFACE_AREA>
153.60999999999996

> <JCHEM_REFRACTIVITY>
85.58279999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.13e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide

> <JCHEM_VEBER_RULE>
0

> <NAME>
p,p'-oxybis(benzenesulfonyl hydrazide)

> <CAS>
80-51-3

> <SYNONYMS>
4,4'-Oxybis(benzenesulfonhydrazide); 4,4'-oxydi(benzenesulphonohydrazide); 4-[4-(hydrazinesulfonyl)phenoxy]benzene-1-sulfonohydrazide; Benzenesulfonic acid, 4,4'-oxybis-, dihydrazide

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