Molecule

ID:60938

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O
Molecular Mass
222.242
Exact Mass
222.07931295
Charge
0
InChI
InChI=1S/C14H10N2O/c17-14-10-12(11-6-2-1-3-7-11)15-13-8-4-5-9-16(13)14/h1-10H
InChIKey
VAKQBHALQXEEAG-UHFFFAOYSA-N
Canonic Smiles
O=c1cc(nc2n1cccc2)c1ccccc1
Isomeric Smiles
n12c(nc(cc1=O)c1ccccc1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8359647
LogD (pH = 7.4)
1.8359708
Log P
1.8359708
Molar Refractivity
68.6122
Polarizability
24.884493
Polar Surface Area
32.67
Rotatable Bonds
1
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