[1-amino-2-(1H-indol-3-yl)ethyl]phosphonic acid

HCID 382136

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Basic information

CAS: 82361-50-0
Standard SMILES: NC(Cc1c[nH]c2ccccc12)P(=O)(O)O
InChIKey: ZUEMQUDNGYLGGA-UHFFFAOYSA-N
Molecular formula: C10H13N2O3P
Average molar mass: 240.2 g/mol
Monoisotopic mass: 240.06637928

Names & identifiers

Preferred name: [1-amino-2-(1H-indol-3-yl)ethyl]phosphonic acid
IUPAC: [1-amino-2-(1H-indol-3-yl)ethyl]phosphonic acid

Names & synonyms

NSC669581[1-amino-2-(1H-indol-3-yl)ethyl]phosphonic acid1-Amino-2-(1H-indol-3-yl)ethylphosphonic acid82361-50-0NSC-669581CHEMBL1979816SCHEMBL10384652DTXSID80327601NCI60_024261Phosphonic acid, [1-amino-2-(1H-indol-3-yl)ethyl]-

Database identifiers

CAS: 82361-50-0
PubChem CID: 382136
DTXSID: DTXSID80327601
ChEMBL: CHEMBL1979816

Properties

Computed structural properties

XLogP: -2.4
Topological polar surface area: 99.3 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 294

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