Molecule

ID:77092

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₂S
Molecular Mass
135.18476
Exact Mass
135.03539953
Charge
0
InChI
InChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2
InChIKey
NDOVLWQBFFJETK-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CCNCC1
Isomeric Smiles
N1CCS(=O)(=O)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7339948
LogD (pH = 7.4)
-1.5357381
Log P
-1.5325217
Molar Refractivity
30.2952
Polarizability
13.122564
Polar Surface Area
46.17
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