Molecule

ID:31301

General Information
Structure
Molecular Formula
C₁₀H₁₈ClNO₃S
Molecular Mass
267.77282
Exact Mass
267.06959212
Charge
0
InChI
InChI=1S/C10H18ClNO3S/c1-8(2)6-12(10(13)5-11)9-3-4-16(14,15)7-9/h8-9H,3-7H2,1-2H3
InChIKey
VSEHIJZDKSGPJT-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N(C1CCS(=O)(=O)C1)CC(C)C
Isomeric Smiles
S1(=O)(=O)CC(N(C(=O)CCl)CC(C)C)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.021205597
LogD (pH = 7.4)
-0.021205597
Log P
-0.021205597
Molar Refractivity
63.3077
Polarizability
25.735764
Polar Surface Area
54.45
Rotatable Bonds
4
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