Molecule

ID:41084

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₂
Molecular Mass
251.27992
Exact Mass
251.09462866
Charge
0
InChI
InChI=1S/C16H13NO2/c1-17-15-10-6-5-9-13(15)14(11-18)16(17)19-12-7-3-2-4-8-12/h2-11H,1H3
InChIKey
QGCSITWXJMWQDS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Oc2ccccc2)n(c2c1cccc2)C
Isomeric Smiles
c1(c(c2c(n1C)cccc2)C=O)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5977645
LogD (pH = 7.4)
3.5977645
Log P
3.5977645
Molar Refractivity
74.1193
Polarizability
29.567362
Polar Surface Area
31.23
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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