Molecule

ID:87746

General Information
Structure
Molecular Formula
C₄H₇NO₃S
Molecular Mass
149.16828
Exact Mass
149.01466409
Charge
0
InChI
InChI=1S/C4H7NO3S/c6-4-2-1-3-9(7,8)5-4/h1-3H2,(H,5,6)
InChIKey
PBILQPVGEGXWKT-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCS(=O)(=O)N1
Isomeric Smiles
O=S1(=O)CCCC(=O)N1
Calculated Properties
JChem
Acid pKa
4.05245
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.007391
LogD (pH = 7.4)
-2.1088812
Log P
-1.167449
Molar Refractivity
30.6519
Polarizability
12.925507
Polar Surface Area
63.24
Rotatable Bonds
0
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