Molecule

ID:101709

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClO₂S
Molecular Mass
252.71666
Exact Mass
252.00117821
Charge
0
InChI
InChI=1S/C12H9ClO2S/c1-15-12(14)11-7-6-10(16-11)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKey
JZCUTYCKIFLPKV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(s1)c1ccc(cc1)Cl
Isomeric Smiles
s1c(ccc1c1ccc(cc1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1375804
LogD (pH = 7.4)
4.1375804
Log P
4.1375804
Molar Refractivity
64.6983
Polarizability
26.23785
Polar Surface Area
26.3
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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