Molecule

ID:130664

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O₂
Molecular Mass
150.13474
Exact Mass
150.04292744
Charge
0
InChI
InChI=1S/C7H6N2O2/c8-7(10)5-2-1-3-6(4-5)9-11/h1-4H,(H2,8,10)
InChIKey
OZUBORKYZRYLSQ-UHFFFAOYSA-N
Canonic Smiles
O=Nc1cccc(c1)C(=O)N
Isomeric Smiles
c1cc(cc(c1)N=O)C(=O)N
Calculated Properties
JChem
H Acceptors
2
Molar Refractivity
40.7098
Acid pKa
13.5989275
H Donor
1
LogD (pH = 5.5)
0.90159166
LogD (pH = 7.4)
0.9015944
Log P
0.90159416
Polarizability
14.218628
Polar Surface Area
72.52
Rotatable Bonds
2
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