Molecule

ID:78520

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c1-19-15(18)14-9-13(16-17-14)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,16,17)
InChIKey
YMLFDDSDTZENHS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1n[nH]c(c1)c1ccc2c(c1)cccc2
Isomeric Smiles
n1c(cc([nH]1)c1cc2ccccc2cc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
8.557266
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2230816
LogD (pH = 7.4)
3.1949694
Log P
3.2234604
Molar Refractivity
72.8626
Polarizability
30.082075
Polar Surface Area
54.98
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation