Molecule
ID:124614
General Information
Molecular Formula
C₁₅H₁₄N₂O
Molecular Mass
238.28446
Exact Mass
238.11061308
Charge
0
InChI
InChI=1S/C15H14N2O/c1-17-14(11-7-3-2-4-8-11)16-13-10-6-5-9-12(13)15(17)18/h2-10,14,16H,1H3
InChIKey
ROWPKSZILRECDM-UHFFFAOYSA-N
Canonic Smiles
CN1C(Nc2c(C1=O)cccc2)c1ccccc1
Isomeric Smiles
N1(C(=O)c2c(NC1c1ccccc1)cccc2)C
Calculated Properties
JChem
Acid pKa
12.474046
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2728426
LogD (pH = 7.4)
3.272839
Log P
3.2728426
Molar Refractivity
72.5048
Polarizability
26.846666
Polar Surface Area
32.34
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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