Basic information
- Standard SMILES
COC(=O)C(N)=Cc1c[nH]c2cc(Cl)ccc12- InChIKey
YGUBGLCZIHLLAU-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O2
- Average molar mass
- 250.68 g/mol
Names & identifiers
- Preferred name
- methyl 2-amino-3-(6-chloro-1H-indol-3-yl)prop-2-enoate
- IUPAC
- methyl 2-amino-3-(6-chloro-1H-indol-3-yl)prop-2-enoate
Database identifiers
- PubChem CID
- 70550910
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Related reactions
1 records
Compound notes
Loading…