Molecule

ID:61765

General Information
Structure
MolImage
Molecular Formula
C₉H₆N₂O₂
Molecular Mass
174.15614
Exact Mass
174.04292744
Charge
0
InChI
InChI=1S/C9H6N2O2/c12-6-7-2-1-5-11-8(13)3-4-10-9(7)11/h1-6H
InChIKey
ZYSIZKIHNYPAAM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn2c1nccc2=O
Isomeric Smiles
n12c(c(ccc2)C=O)nccc1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.033307552
LogD (pH = 7.4)
-0.033306897
Log P
-0.03330689
Molar Refractivity
48.078
Polarizability
17.161
Polar Surface Area
49.74
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