Molecule

ID:81953

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O
Molecular Mass
238.28446
Exact Mass
238.11061308
Charge
0
InChI
InChI=1S/C15H14N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-10,12,16H,1H3
InChIKey
UQUYUXAIENZBMB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1C=CC(C=C1)c1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1c2c(cccc2)c(c1)C1C=CN(C=C1)C(=O)C
Calculated Properties
JChem
Acid pKa
15.021999
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.810973
LogD (pH = 7.4)
1.810973
Log P
1.810973
Molar Refractivity
72.3176
Polarizability
28.465134
Polar Surface Area
36.1
Rotatable Bonds
1
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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