Cc1ccc(Cl)c(C2CC(=O)c3c(C)cnnc3C2)c1
이름: 7-(2-chloro-5-methylphenyl)-4-methyl-5,6,7,8-tetrahydrocinnolin-5-one
SMILES: Cc1ccc(Cl)c(C2CC(=O)c3c(C)cnnc3C2)c1

Molecular Processing

Molecular formula
C16H15ClN2O
Molecular weight
286.76
Exact mass
286.0873
XLogP
3.66
TPSA
42.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
78.35

Supplementary Information

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