Molecule

ID:37571

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁N₃OS₂
Molecular Mass
193.29034
Exact Mass
193.03435399
Charge
0
InChI
InChI=1S/C5H11N3OS2/c1-5(2)3(7-9)8(6)4(10)11-5/h3,7,9H,6H2,1-2H3
InChIKey
OSWVJAFJRNETBW-UHFFFAOYSA-N
Canonic Smiles
ONC1N(N)C(=S)SC1(C)C
Isomeric Smiles
C1(C(SC(=S)N1N)(C)C)NO
Calculated Properties
JChem
Acid pKa
15.523533
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.00682
LogD (pH = 7.4)
1.0124556
Log P
1.012528
Molar Refractivity
61.9373
Polarizability
20.459839
Polar Surface Area
61.52
Rotatable Bonds
1
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