Molecule
ID:65251
General Information
Molecular Formula
C₃H₄OS
Molecular Mass
88.12826
Exact Mass
87.99828575
Charge
0
InChI
InChI=1S/C3H4OS/c4-3-1-5-2-3/h1-2H2
InChIKey
DQOHDRDDPZNSQI-UHFFFAOYSA-N
Canonic Smiles
O=C1CSC1
Isomeric Smiles
C1(=O)CSC1
Calculated Properties
JChem
Acid pKa
16.93482
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.10984957
LogD (pH = 7.4)
0.10984957
Log P
0.10984957
Molar Refractivity
22.2635
Polarizability
8.683263
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...