Molecule

ID:40244

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClOS
Molecular Mass
214.71174
Exact Mass
214.02191365
Charge
0
InChI
InChI=1S/C10H11ClOS/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-7H,1-2H3
InChIKey
ATFFNOSBGHNMPY-UHFFFAOYSA-N
Canonic Smiles
O=CC(Sc1ccc(cc1)Cl)(C)C
Isomeric Smiles
S(C(C=O)(C)C)c1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.215071
LogD (pH = 7.4)
3.215071
Log P
3.215071
Molar Refractivity
58.1357
Polarizability
22.672653
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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