Molecule

ID:71075

General Information
Structure
Molecular Formula
C₁₅H₁₃NO₃
Molecular Mass
255.26862
Exact Mass
255.08954328
Charge
0
InChI
InChI=1S/C15H13NO3/c17-14(10-11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKey
WLWHMIHDEXBKCR-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1C(=O)O)Cc1ccccc1
Isomeric Smiles
c1ccc(c(c1)C(=O)O)NC(=O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.5596917
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4186591
LogD (pH = 7.4)
-0.0038059563
Log P
3.3528788
Molar Refractivity
72.8991
Polarizability
27.125542
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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