CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)N)Cl
Name: ethyl 5-amino-3-chloro-1-methylindole-2-carboxylate
SMILES: CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)N)Cl

Molecular Processing

Molecular formula
C12H13ClN2O2
Molecular weight
252.7
Exact mass
252.0666
XLogP
2.59
TPSA
57.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
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
0.25
Molar refractivity
68.3

Supplementary Information

InChIKey: OVKQNSGDIBOTHM-UHFFFAOYSA-N
Synonyme
SCHEMBL4680770OVKQNSGDIBOTHM-UHFFFAOYSA-N3-Chloro-1N-methyl-5-amino-indole-2-carboxylic acid ethyl ester
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