Molecule

ID:73649

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)11-6-4-5-10(9-11)14-16-12-7-2-3-8-13(12)17-14/h2-9H,1H3,(H,16,17)
InChIKey
SDZFFOAJFKWQMS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)c1nc2c([nH]1)cccc2
Isomeric Smiles
n1c(c2cc(ccc2)C(=O)OC)[nH]c2ccccc12
Calculated Properties
JChem
Acid pKa
11.451094
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1459901
LogD (pH = 7.4)
3.2855809
Log P
3.2877512
Molar Refractivity
82.0954
Polarizability
29.362637
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
暂无数据
点击上传数据
References
Bioactivity
Navigation