Name: 1-Ethyl-3-formyl-1H-indole-6-carboxylic acid methyl ester
SMILES:
CCn1cc(C=O)c2ccc(C(=O)OC)cc21Molecular Processing
Molecular formula
C13H13NO3
Molecular weight
231.25
Exact mass
231.0895
XLogP
2.26
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
64.34
Supplementary Information
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