Name: 5-methyl-1H-indole-2-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cc2cc(C)ccc2[nH]1Molecular Processing
Molecular formula
C12H13NO2
Molecular weight
203.24
Exact mass
203.0946
XLogP
2.65
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
58.99
Supplementary Information
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