이름: 4-(5-methyl-1-oxo-1,2-dihydro-isoquinolin-3-yl)-benzoic acid
SMILES:
Cc1cccc2c(=O)[nH]c(-c3ccc(C(=O)O)cc3)cc12Molecular Processing
Molecular formula
C17H13NO3
Molecular weight
279.3
Exact mass
279.0895
XLogP
3.2
TPSA
70.16
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
81.7
Supplementary Information
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