5-[4-(Dimethylamino)phenyl]-1H-indole-2-carboxylic acid
Basic information
- CAS
1181596-04-2- Standard SMILES
CN(C)c1ccc(-c2ccc3[nH]c(C(=O)O)cc3c2)cc1- InChIKey
SSZFVWATLHUWOX-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Names & identifiers
- Preferred name
- 5-[4-(Dimethylamino)phenyl]-1H-indole-2-carboxylic acid
- IUPAC
- 5-[4-(dimethylamino)phenyl]-1H-indole-2-carboxylic acid
Names & synonyms
5-[4-(Dimethylamino)phenyl]-1H-indole-2-carboxylic acidDTXSID8012039081181596-04-2
Database identifiers
- CAS
1181596-04-2- PubChem CID
- 39233154
- DTXSID
DTXSID801203908
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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