Molecule

ID:87918

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂S
Molecular Mass
175.24862
Exact Mass
175.06669966
Charge
0
InChI
InChI=1S/C7H13NO2S/c1-2-3-8-4-6-11(9,10)7-5-8/h2H,1,3-7H2
InChIKey
FBDCRTGBUXDMGK-UHFFFAOYSA-N
Canonic Smiles
C=CCN1CCS(=O)(=O)CC1
Isomeric Smiles
N1(CC=C)CCS(=O)(=O)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.41954753
LogD (pH = 7.4)
-0.4182406
Log P
-0.41822392
Molar Refractivity
44.7526
Polarizability
18.365984
Polar Surface Area
37.38
Rotatable Bonds
2
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
CAS 79207-42-4|4-Allylthiomorpholine 1,1-dioxide 98%|4-(prop-2-en-1-yl)-1$l^{6},4-thiomorpholine-1,1-dione|4-(prop-2-en-1-yl)-1$l^{6},4-thiomorpholine-1,1-dione | Molfinder