Name: (5,5-dimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)oxo-acetic acid methyl ester
SMILES:
COC(=O)C(=O)c1cn2c3c(cccc13)CC(C)(C)C2Molecular Processing
Molecular formula
C16H17NO3
Molecular weight
271.32
Exact mass
271.1208
XLogP
2.58
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
75.77
Supplementary Information
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