Name: 4-Cyano-N-methylbenzamide
SMILES:
CNC(=O)c1ccc(C#N)cc1Molecular Processing
Molecular formula
C9H8N2O
Molecular weight
160.18
Exact mass
160.0637
XLogP
0.92
TPSA
52.89
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
44.55
Supplementary Information
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