Molecule

ID:66906

General Information
Structure
Molecular Formula
C₈H₈N₄O₂
Molecular Mass
192.17472
Exact Mass
192.06472552
Charge
0
InChI
InChI=1S/C8H8N4O2/c1-2-14-8(13)7-11-10-6-5-9-3-4-12(6)7/h3-5H,2H2,1H3
InChIKey
AIXPIVVNGMBMGA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnc2n1ccnc2
Isomeric Smiles
c12cnccn1c(nn2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.88074523
LogD (pH = 7.4)
-0.8807449
Log P
-0.8807449
Molar Refractivity
50.2468
Polarizability
17.898235
Polar Surface Area
69.38
Rotatable Bonds
3
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