4,6-Dichloro-8-methylthieno[2,3-b]indole-2-carboxylic acid
Basic information
- Standard SMILES
Cn1c2cc(Cl)cc(Cl)c2c2cc(C(=O)O)sc21- InChIKey
VRDKNJIQPONVJC-UHFFFAOYSA-N- Molecular formula
- C12H7Cl2NO2S
- Average molar mass
- 300.2 g/mol
Names & identifiers
- Preferred name
- 4,6-Dichloro-8-methylthieno[2,3-b]indole-2-carboxylic acid
- IUPAC
- 6,8-dichloro-4-methylthieno[2,3-b]indole-2-carboxylic acid
Names & synonyms
SCHEMBL8503836VRDKNJIQPONVJC-UHFFFAOYSA-N4,6-dichloro-8-methylthieno[2,3-b]indole-2-carboxylic acid
Database identifiers
- PubChem CID
- 19068942
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
Related reactions
3 records
Compound notes
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