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MFCD08543455 molecular structure
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2-amino-4,5-diphenylbenzoic acid

ChemBase ID: 92361
Molecular Formular: C19H15NO2
Molecular Mass: 289.3279
Monoisotopic Mass: 289.11027873
SMILES and InChIs

SMILES:
O=C(c1c(cc(c(c1)c1ccccc1)c1ccccc1)N)O
Canonical SMILES:
OC(=O)c1cc(c2ccccc2)c(cc1N)c1ccccc1
InChI:
InChI=1S/C19H15NO2/c20-18-12-16(14-9-5-2-6-10-14)15(11-17(18)19(21)22)13-7-3-1-4-8-13/h1-12H,20H2,(H,21,22)
InChIKey:
DOXAMEQCBGYCHF-UHFFFAOYSA-N

Cite this record

CBID:92361 http://www.chembase.cn/molecule-92361.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4,5-diphenylbenzoic acid
IUPAC Traditional name
2-amino-4,5-diphenylbenzoic acid
Synonyms
4,5-Diphenylanthranilic acid
2-Amino-4,5-diphenylbenzoic acid
MDL Number
MFCD08543455
PubChem SID
162079059
PubChem CID
15684302

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR8919 external link Add to cart Please log in.
Data Source Data ID
PubChem 15684302 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.7864404  H Acceptors
H Donor LogD (pH = 5.5) 3.8379772 
LogD (pH = 7.4) 2.0771484  Log P 4.7463536 
Molar Refractivity 88.287 cm3 Polarizability 35.81931 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold/Light Sensitive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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