Molecule

ID:12779

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃OS
Molecular Mass
173.23604
Exact Mass
173.06228299
Charge
0
InChI
InChI=1S/C6H11N3OS/c1-2-10-4-3-5-8-9-6(7)11-5/h2-4H2,1H3,(H2,7,9)
InChIKey
BYEYSFBTZPXVQU-UHFFFAOYSA-N
Canonic Smiles
CCOCCc1nnc(s1)N
Isomeric Smiles
n1nc(sc1CCOCC)N
Calculated Properties
JChem
Acid pKa
14.910924
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.14636286
LogD (pH = 7.4)
0.1463796
Log P
0.14637983
Molar Refractivity
45.905
Polarizability
16.438765
Polar Surface Area
61.03
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