Molecule

ID:115498

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₆S
Molecular Mass
292.4031
Exact Mass
292.14701567
Charge
0
InChI
InChI=1S/C13H20N6S/c1-20-13-16-11(18-6-3-2-4-7-18)10-9-15-19(8-5-14)12(10)17-13/h9H,2-8,14H2,1H3
InChIKey
YNWFRLFWTYWGQZ-UHFFFAOYSA-N
Canonic Smiles
NCCn1ncc2c1nc(SC)nc2N1CCCCC1
Isomeric Smiles
c12c(nc(nc1N1CCCCC1)SC)n(nc2)CCN
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.4232017
LogD (pH = 7.4)
-0.25158772
Log P
1.9268223
Molar Refractivity
95.4448
Polarizability
31.855232
Polar Surface Area
72.86
Rotatable Bonds
4
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