名称: 4,10b-dimethyl-8-carboxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
SMILES:
CN1C(=O)CCC2(C)c3ccc(C(=O)O)cc3CCC12Molecular Processing
Molecular formula
C16H19NO3
Molecular weight
273.33
Exact mass
273.1365
XLogP
2.21
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
74.87
Supplementary Information
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