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Secondary metabolite: 1H-indole-3-carboxylic acid
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Predicted human target proteins
Summary
Molecular formula:
C9H7NO2
SMILES:
OC(=O)c1c[nH]c2c1cccc2
InChI:
InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
InChIKey:
KMAKOBLIOCQGJP-UHFFFAOYSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1
Scaffold Graph/Node level:
C1CCC2NCCC2C1
Scaffold Graph level:
C1CCC2CCCC2C1
Chemical classification
Kingdom:
Organic compounds
Super class:
Organoheterocyclic compounds
Class:
Indoles and derivatives
Sub class:
Indolecarboxylic acids and derivatives
Synonymous chemical names:
1h-indole-3-carboxylic acid
External chemical identifiers:
CID_69867
;
CAS_771-50-6
;
CHEMSPIDER_63063
;
ZINC_ZINC000000158741
;
Molport_MolPort-000-142-458
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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