Mrv1572004251606332D          

 15 14  0  0  0  0            999 V2000
   -3.3682    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2248   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6537    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9393    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9186   -0.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9186    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2248    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2041    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0620   -0.5304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475   -0.9429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103    0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 11  8  1  0  0  0  0
 13 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009718

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.CCCC(C)OC1=CC=C(NN)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H18N2O.ClH/c1-3-4-9(2)14-11-7-5-10(13-12)6-8-11;/h5-9,13H,3-4,12H2,1-2H3;1H

> <INCHI_KEY>
GBIPHMZRHZBLRJ-UHFFFAOYSA-N

> <FORMULA>
C11H19ClN2O

> <MOLECULAR_WEIGHT>
230.74

> <EXACT_MASS>
230.1185909

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
22.83513783540636

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[4-(pentan-2-yloxy)phenyl]hydrazine hydrochloride

> <ALOGPS_LOGP>
2.97

> <JCHEM_LOGP>
2.947691199333333

> <ALOGPS_LOGS>
-2.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.114102527642814

> <JCHEM_POLAR_SURFACE_AREA>
47.28

> <JCHEM_REFRACTIVITY>
60.520300000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.24e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[4-(pentan-2-yloxy)phenyl]hydrazine hydrochloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Hydrazine, [4-(1-methylbutoxy)phenyl]-, hydrochloride (1:1)

> <CAS>
124993-63-1

$$$$