Molecule

ID:58169

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂OS
Molecular Mass
120.21318
Exact Mass
120.060886
Charge
0
InChI
InChI=1S/C5H12OS/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
InChIKey
QGONIKZRWOOHBB-UHFFFAOYSA-N
Canonic Smiles
OCCSC(C)C
Isomeric Smiles
CC(C)SCCO
Calculated Properties
JChem
Acid pKa
15.543678
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.8396191
LogD (pH = 7.4)
0.8396191
Log P
0.8396191
Molar Refractivity
34.653
Polarizability
13.620039
Polar Surface Area
20.23
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