Molecule

ID:58398

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₃
Molecular Mass
241.24204
Exact Mass
241.07389322
Charge
0
InChI
InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)
InChIKey
WXVLIIDDWFGYCV-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)Nc1ccccc1C(=O)O
Isomeric Smiles
c1cccc(c1C(=O)O)NC(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
0.01
LogD (pH = 5.5)
1.43
Log P
3.37
Rotatable Bonds
3
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.55
Polar Surface Area
66.40
Polarizability
24.59
Molar Refractivity
68.85
LOG S
-3.63
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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