Molecule

ID:35286

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c1-11-6-7-18-14(10-19)16(17-15(18)8-11)12-4-3-5-13(9-12)20-2/h3-10H,1-2H3
InChIKey
MZBCCRDBXSINSQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1ccc(c2)C)c1cccc(c1)OC
Isomeric Smiles
n12c(nc(c1C=O)c1cc(OC)ccc1)cc(cc2)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7625082
LogD (pH = 7.4)
2.7806423
Log P
2.7808788
Molar Refractivity
78.6665
Polarizability
30.438993
Polar Surface Area
43.6
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