Molecule

ID:21460

General Information
Structure
MolImage
Molecular Formula
C₈H₆N₂O
Molecular Mass
146.14604
Exact Mass
146.04801282
Charge
0
InChI
InChI=1S/C8H6N2O/c11-6-8-3-1-2-7-4-5-9-10(7)8/h1-6H
InChIKey
SGNBVQKSJWCGOJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc2n1ncc2
Isomeric Smiles
c12cccc(n1ncc2)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1356243
LogD (pH = 7.4)
1.1356857
Log P
1.1356865
Molar Refractivity
52.4394
Polarizability
15.847061
Polar Surface Area
34.37
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