Molecule

ID:39829

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₃
Molecular Mass
255.26862
Exact Mass
255.08954328
Charge
0
InChI
InChI=1S/C15H13NO3/c1-16-10-12(9-13(16)7-8-14(17)18)15(19)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/b8-7+
InChIKey
UNTMSWHXFUXDFN-BQYQJAHWSA-N
Canonic Smiles
OC(=O)/C=C/c1cc(cn1C)C(=O)c1ccccc1
Isomeric Smiles
c1(cn(c(c1)/C=C/C(=O)O)C)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.8597078
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1744478
LogD (pH = 7.4)
-0.41494069
Log P
2.8190005
Molar Refractivity
73.1684
Polarizability
27.313828
Polar Surface Area
59.3
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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