Molecule

ID:120755

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c1-10-6(9)5-8-4-2-3-7-8/h2-4H,5H2,1H3
InChIKey
WJUHYXHQRFJCBI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1cccn1
Isomeric Smiles
n1(nccc1)CC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.024873491
LogD (pH = 7.4)
0.024981856
Log P
0.024983238
Molar Refractivity
45.8151
Polarizability
13.4790325
Polar Surface Area
44.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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