Name: 3-(3,4-dimethyl-benzoyl)-2,3-dihydro-1H-quinolin-4-one
SMILES:
Cc1ccc(C(=O)C2CNc3ccccc3C2=O)cc1CMolecular Processing
Molecular formula
C18H17NO2
Molecular weight
279.34
Exact mass
279.1259
XLogP
3.41
TPSA
46.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
83
Supplementary Information
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