Molecule

ID:72215

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₅
Molecular Mass
125.13188
Exact Mass
125.07014525
Charge
0
InChI
InChI=1S/C4H7N5/c5-2-3(6)8-1-9-4(2)7/h1H,5H2,(H4,6,7,8,9)
InChIKey
MPNBXFXEMHPGTK-UHFFFAOYSA-N
Canonic Smiles
Nc1c(N)ncnc1N
Isomeric Smiles
c1(c(ncnc1N)N)N
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-3.053987
LogD (pH = 7.4)
-1.7646672
Log P
-1.2481273
Molar Refractivity
37.4505
Polarizability
12.001822
Polar Surface Area
103.84
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