Name: methyl 1-acetyl-3-methoxyindole-6-carboxylate
SMILES:
COC(=O)c1ccc2c(OC)cn(C(C)=O)c2c1Molecular Processing
Molecular formula
C13H13NO4
Molecular weight
247.25
Exact mass
247.0845
XLogP
2.1
TPSA
57.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
66.13
Supplementary Information
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