Molecule

ID:72162

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁N₅
Molecular Mass
141.17434
Exact Mass
141.10144538
Charge
0
InChI
InChI=1S/C5H11N5/c1-10-5(7-3-2-6)8-4-9-10/h4H,2-3,6H2,1H3,(H,7,8,9)
InChIKey
LDHYMADOONFXAL-UHFFFAOYSA-N
Canonic Smiles
Cn1ncnc1NCCN
Isomeric Smiles
n1c(n(nc1)C)NCCN
Calculated Properties
JChem
Acid pKa
19.321423
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.9278314
LogD (pH = 7.4)
-3.0802102
Log P
-0.92536944
Molar Refractivity
51.7524
Polarizability
14.384186
Polar Surface Area
68.76
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