AromaDb: A Database of Plant's Aroma Molecules

2-Benzoylaminobenzoic acid Details

: IUPAC Name
N-Benzoylanthranilicacid
:Chemical Class
:CAS Registry Number
579-93-1
:Description

:Fragrance Type
fruity aroma??????

Physical and Chemical properties

PUBCHEM ID68482
Molecular Weight (mg/mol)241.249
Molecular FormulaC14H11NO3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
IUPAC NameN-Benzoylanthranilicacid
Canonical SMILESO=C(O)c1ccccc1NC(=O)c2ccccc2
PUBCHEM IUPAC INCHIKEYWXVLIIDDWFGYCV-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-7.875

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level3
Absorption Level0
EXT PPB#Prediction1
AlogP982.244
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD505.03755
Ocular IrritancyNone
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 579-93-1
2 579-93-1
3 579-93-1
4 579-93-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 579-93-1 2-Benzoylaminobenzoic acid

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures