3-(2,2-diaminoethyl)-1H-indole-7-carboxylic acid
Basic information
- CAS
2203841-89-6- Standard SMILES
NC(N)Cc1c[nH]c2c(C(=O)O)cccc12- InChIKey
RYFAPKOHZNIPIK-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- 3-(2,2-diaminoethyl)-1H-indole-7-carboxylic acid
- IUPAC
- 3-(2,2-diaminoethyl)-1H-indole-7-carboxylic acid
Names & synonyms
3-(2,2-diaminoethyl)-1H-indole-7-carboxylic acidDTXSID40276368AKOS0329604982203841-89-6897958-55-3
Database identifiers
- CAS
2203841-89-6- PubChem CID
- 135960
- DTXSID
DTXSID40276368
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
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Compound notes
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