Molecule

ID:40039

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₂
Molecular Mass
251.27992
Exact Mass
251.09462866
Charge
0
InChI
InChI=1S/C16H13NO2/c1-11-6-8-12(9-7-11)10-17-14-5-3-2-4-13(14)15(18)16(17)19/h2-9H,10H2,1H3
InChIKey
UOSUSTXEXDHJEO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CN1c2ccccc2C(=O)C1=O
Isomeric Smiles
N1(C(=O)C(=O)c2c1cccc2)Cc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0535042
LogD (pH = 7.4)
3.0535042
Log P
3.0535042
Molar Refractivity
73.2447
Polarizability
27.721243
Polar Surface Area
37.38
Rotatable Bonds
2
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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