Molecule

ID:21783

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₃
Molecular Mass
255.26862
Exact Mass
255.08954328
Charge
0
InChI
InChI=1S/C15H13NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKey
KZRGQINXYBJMNB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1C(=O)O)NCc1ccccc1
Isomeric Smiles
c1(C(=O)NCc2ccccc2)c(C(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.6629314
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5949963
LogD (pH = 7.4)
-0.8904146
Log P
2.4296181
Molar Refractivity
71.9019
Polarizability
26.921482
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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