Molecule

ID:103219

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
InChIKey
CXOFVDLJLONNDW-UHFFFAOYSA-N
Canonic Smiles
OC1=NC(=NC1(c1ccccc1)c1ccccc1)O
Isomeric Smiles
OC1=NC(c2ccccc2)(c2ccccc2)C(=N1)O
Calculated Properties
JChem
Acid pKa
3.984243
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8763506
LogD (pH = 7.4)
0.21208316
Log P
3.4013252
Molar Refractivity
71.2257
Polarizability
27.033718
Polar Surface Area
65.18
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
References
Bioactivity
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