Mrv1652306031606022D          

 14 14  0  0  0  0            999 V2000
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 11  9  1  0  0  0  0
 14  6  1  0  0  0  0
 14 10  1  0  0  0  0
 14 12  2  0  0  0  0
 14 13  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM042633

> <DATABASE_NAME>
chemdb

> <SMILES>
CNS(=O)(=O)CC1=CC=C(NN)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H13N3O2S/c1-10-14(12,13)6-7-2-4-8(11-9)5-3-7/h2-5,10-11H,6,9H2,1H3

> <INCHI_KEY>
DZODFXKLAFRYEC-UHFFFAOYSA-N

> <FORMULA>
C8H13N3O2S

> <MOLECULAR_WEIGHT>
215.27

> <EXACT_MASS>
215.072847845

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
21.649841741349963

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-(4-hydrazinylphenyl)-N-methylmethanesulfonamide

> <ALOGPS_LOGP>
0.06

> <JCHEM_LOGP>
-0.04326850566666629

> <ALOGPS_LOGS>
-1.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.416309992628584

> <JCHEM_PKA_STRONGEST_BASIC>
5.117125310805231

> <JCHEM_POLAR_SURFACE_AREA>
84.22

> <JCHEM_REFRACTIVITY>
57.40670000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.65e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(4-hydrazinylphenyl)-N-methylmethanesulfonamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
1-(4-hydrazinylphenyl)-N-methylmethanesulfonamide

> <CAS>
139272-29-0

$$$$