Mrv1572004191603092D          

 10  9  0  0  0  0            999 V2000
    0.2382   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908    0.3208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763    1.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    1.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  9  6  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011077

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.NNC1=CC=CC=C1F

> <INCHI_IDENTIFIER>
InChI=1S/C6H7FN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H

> <INCHI_KEY>
VFZYLSYYMHFPSY-UHFFFAOYSA-N

> <FORMULA>
C6H8ClFN2

> <MOLECULAR_WEIGHT>
162.59

> <EXACT_MASS>
162.0360041

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
11.827480087898715

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-fluorophenyl)hydrazine hydrochloride

> <ALOGPS_LOGP>
1.16

> <JCHEM_LOGP>
1.5075903619999997

> <ALOGPS_LOGS>
-1.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.6472312212109

> <JCHEM_PKA_STRONGEST_BASIC>
4.694753747352597

> <JCHEM_POLAR_SURFACE_AREA>
38.05

> <JCHEM_REFRACTIVITY>
35.9811

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2-fluorophenyl)hydrazine hydrochloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Hydrazine, (2-fluorophenyl)-

> <CAS>
2368-80-1

$$$$