Chem 4 Hydrazino Benzonitrile

Compound 13
  CheckMol                        TMF02:r0:m0
MF=C7H7N3 MW=133.15
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938    0.7597   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5876    1.5193   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5758    3.0387   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8814    0.7834   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8696    3.7984   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1753    1.5431   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1634    3.0506   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4572    3.8102   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7510    3.0743   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 02  0  1  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

4-Hydrazino Benzonitrile

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Chemical Name - 4-Hydrazino Benzonitrile
Mol Weight - 133.154
Smiles - NNc(cc1)ccc1C#N

Property Name	Property Value
Mol Name	4-Hydrazino Benzonitrile
Molweight	133.154
Monoisotopic Mass	133.063997
Clogp	1.4577
Clogs	-2.183
H Acceptors	3
H Donors	2
Total Surface Area	114.95
Relative Psa	0.3505
Polar Surface Area	61.84
Druglikeness	-8.595
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.8
Molecular Flexibility	0.24333
Molecular Complexity	0.57807
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Symmetric Atoms	2
Smiles	NNc(cc1)ccc1C#N
InChIKey	InChI=1S/C7H7N3/c8-5-6-1-3-7(10-9)4-2-6/h1-4,10H,9H2
InChI	DZUUSHCOMPROCJ-UHFFFAOYSA-N

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4-Hydrazino Benzonitrile