Molecule

ID:40702

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₃
Molecular Mass
267.27932
Exact Mass
267.08954328
Charge
0
InChI
InChI=1S/C16H13NO3/c18-15-14-4-2-1-3-13(14)10-17(15)9-11-5-7-12(8-6-11)16(19)20/h1-8H,9-10H2,(H,19,20)
InChIKey
OWEXXVQMKGYTOP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)CN1Cc2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1)cccc2)Cc1ccc(C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
4.0651975
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9575237
LogD (pH = 7.4)
-0.71596867
Log P
2.4045215
Molar Refractivity
75.3532
Polarizability
28.027815
Polar Surface Area
57.61
Rotatable Bonds
3
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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