Molecule
ID:89121
General Information
Molecular Formula
C₈H₆N₂O
Molecular Mass
146.14604
Exact Mass
146.04801282
Charge
0
InChI
InChI=1S/C8H6N2O/c11-5-6-4-10-7-2-1-3-9-8(6)7/h1-5,10H
InChIKey
JDIWXZAFVHTGBQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c[nH]c2c1nccc2
Isomeric Smiles
n1c2c(ccc1)[nH]cc2C=O
Calculated Properties
JChem
Acid pKa
11.813831
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9436484
LogD (pH = 7.4)
0.95255685
Log P
0.95268804
Molar Refractivity
41.1996
Polarizability
16.56009
Polar Surface Area
45.75
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...