Molecule

ID:79282

General Information
Structure
Molecular Formula
C₁₄H₁₉ClO₂S
Molecular Mass
286.81746
Exact Mass
286.07942853
Charge
0
InChI
InChI=1S/C14H19ClO2S/c1-13(2,3)17-12(16)14(4,5)18-11-8-6-10(15)7-9-11/h6-9H,1-5H3
InChIKey
JGSJJDGRYVXVSW-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Sc1ccc(cc1)Cl)(C)C)OC(C)(C)C
Isomeric Smiles
S(c1ccc(cc1)Cl)C(C(=O)OC(C)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5735407
LogD (pH = 7.4)
4.5735407
Log P
4.5735407
Molar Refractivity
77.6358
Polarizability
30.733551
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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