Molecule
ID:75051
General Information
Molecular Formula
C₆H₁₀OS
Molecular Mass
130.208
Exact Mass
130.04523594
Charge
0
InChI
InChI=1S/C6H10OS/c1-3-5-8(7)6-4-2/h3-4H,1-2,5-6H2
InChIKey
XYGIHYNABFJESU-UHFFFAOYSA-N
Canonic Smiles
C=CCS(=O)CC=C
Isomeric Smiles
S(=O)(CC=C)CC=C
Calculated Properties
JChem
Acid pKa
18.102673
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.35901242
LogD (pH = 7.4)
0.35901242
Log P
0.35901242
Molar Refractivity
38.9952
Polarizability
14.915219
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...