Name: 2-methyindole-4-carboxylic acid benzyl ester
SMILES:
Cc1cc2c(C(=O)OCc3ccccc3)cccc2[nH]1Molecular Processing
Molecular formula
C17H15NO2
Molecular weight
265.31
Exact mass
265.1103
XLogP
3.83
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
78.6
Supplementary Information
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