Molecule

ID:40606

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O
Molecular Mass
134.13534
Exact Mass
134.04801282
Charge
0
InChI
InChI=1S/C7H6N2O/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H,8H2
InChIKey
DXNCTLORAFZVGQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1nco2
Isomeric Smiles
c12ncoc1cccc2N
Calculated Properties
JChem
Acid pKa
18.332504
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.49089396
LogD (pH = 7.4)
0.49093887
Log P
0.49093944
Molar Refractivity
37.4235
Polarizability
14.962694
Polar Surface Area
52.05
Rotatable Bonds
0
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