INDOLE-3-ACETIC ACID

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Synonyms
Molecule Category Free-form
UNII 6U1S09C61L
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key SEOVTRFCIGRIMH-UHFFFAOYSA-N
Smiles OC(=O)Cc1c[nH]c2ccccc12
InChI
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9NO2
Molecular Weight 175.18
AlogP 1.79
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 53.09
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 13.0

Cross References

Resources Reference
ChEMBL CHEMBL82411
FDA SRS 6U1S09C61L
PDB IAC
SureChEMBL SCHEMBL26344
CONTENTS