Molecule

ID:35309

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O
Molecular Mass
250.29516
Exact Mass
250.11061308
Charge
0
InChI
InChI=1S/C16H14N2O/c1-11-6-7-13(12(2)9-11)16-14(10-19)18-8-4-3-5-15(18)17-16/h3-10H,1-2H3
InChIKey
YPEPKMWTDCIKIM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1cccc2)c1ccc(cc1C)C
Isomeric Smiles
c1(nc2n(c1C=O)cccc2)c1c(cc(cc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4348247
LogD (pH = 7.4)
3.451751
Log P
3.4519713
Molar Refractivity
77.2445
Polarizability
29.716143
Polar Surface Area
34.37
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
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Molecule Details
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References
Bioactivity
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