Cc1ccc(C#N)cc1Cl
SMILES: Cc1ccc(C#N)cc1Cl

Molecular Processing

Molecular formula
C8H6ClN
Molecular weight
151.6
Exact mass
151.0189
XLogP
2.52
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
40.9

Supplementary Information

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