Molecule

ID:79071

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c16-11-10-12-6-8-14(9-7-12)19-15(18)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)
InChIKey
MIZOYFZCTNZOGR-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)OC(=O)Nc1ccccc1
Isomeric Smiles
N#CCc1ccc(cc1)OC(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
12.828397
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.183903
LogD (pH = 7.4)
3.1839013
Log P
3.183903
Molar Refractivity
72.6091
Polarizability
27.147806
Polar Surface Area
62.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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