CN(C)C=CC(=O)c1ccc(Cl)c(C#N)n1
SMILES: CN(C)C=CC(=O)c1ccc(Cl)c(C#N)n1

Molecular Processing

Molecular formula
C11H10ClN3O
Molecular weight
235.67
Exact mass
235.0512
XLogP
1.86
TPSA
56.99
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
61.12

Supplementary Information

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