Molecule

ID:79283

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClO₄S
Molecular Mass
318.81626
Exact Mass
318.06925777
Charge
0
InChI
InChI=1S/C14H19ClO4S/c1-13(2,3)19-12(16)14(4,5)20(17,18)11-8-6-10(15)7-9-11/h6-9H,1-5H3
InChIKey
NEOOYEMYEVIWND-UHFFFAOYSA-N
Canonic Smiles
O=C(C(S(=O)(=O)c1ccc(cc1)Cl)(C)C)OC(C)(C)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)C(C(=O)OC(C)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5535338
LogD (pH = 7.4)
3.5535338
Log P
3.5535338
Molar Refractivity
78.4839
Polarizability
31.8881
Polar Surface Area
60.44
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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