Molecule

ID:59113

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₃
Molecular Mass
255.26862
Exact Mass
255.08954328
Charge
0
InChI
InChI=1S/C15H13NO3/c17-14(10-11-4-2-1-3-5-11)16-13-8-6-12(7-9-13)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKey
VNHSSBYXYMABJC-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)Nc1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)O)cc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.159851
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.346125
LogD (pH = 7.4)
-0.35748965
Log P
2.702879
Molar Refractivity
72.8991
Polarizability
27.123606
Polar Surface Area
66.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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