Molecule

ID:65459

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₂
Molecular Mass
227.25852
Exact Mass
227.09462866
Charge
0
InChI
InChI=1S/C14H13NO2/c1-10-3-5-11(6-4-10)14(17)12-7-13(9-16)15(2)8-12/h3-9H,1-2H3
InChIKey
HJSNZFJOGNZNAM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(cn1C)C(=O)c1ccc(cc1)C
Isomeric Smiles
c1(cn(c(c1)C=O)C)C(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.882084
LogD (pH = 7.4)
2.882084
Log P
2.882084
Molar Refractivity
67.7917
Polarizability
25.110739
Polar Surface Area
39.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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