3-(2-carboxyethyl)-6-phenyl-1H-indole-2-carboxylic acid

HCID 71280862
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Basic information

Standard SMILES
O=C(O)CCc1c(C(=O)O)[nH]c2cc(-c3ccccc3)ccc12
InChIKey
GDRVFNVJBQRHAM-UHFFFAOYSA-N
Molecular formula
C18H15NO4
Average molar mass
309.3 g/mol
Monoisotopic mass
309.10010796

Names & identifiers

Preferred name
3-(2-carboxyethyl)-6-phenyl-1H-indole-2-carboxylic acid
IUPAC
3-(2-carboxyethyl)-6-phenyl-1H-indole-2-carboxylic acid

Names & synonyms

CHEMBL3968577SCHEMBL14739168GDRVFNVJBQRHAM-UHFFFAOYSA-NBDBM504588673-(2-carboxyethyl)-6-phenyl-1H-indole-2-carboxylic acid

Database identifiers

PubChem CID
71280862
ChEMBL
CHEMBL3968577

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
90.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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