Molecule

ID:54033

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c1-2-19-15(18)12-7-5-11(6-8-12)14-13(10-16)4-3-9-17-14/h3-9H,2H2,1H3
InChIKey
SEVLKWHXNIQVSH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)c1ncccc1C#N
Isomeric Smiles
c1cnc(c(c1)C#N)c1ccc(cc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0050182
LogD (pH = 7.4)
3.00503
Log P
3.0050302
Molar Refractivity
71.1608
Polarizability
28.487057
Polar Surface Area
62.98
Rotatable Bonds
4
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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