Molecule

ID:86064

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClOS
Molecular Mass
214.71174
Exact Mass
214.02191365
Charge
0
InChI
InChI=1S/C10H11ClOS/c1-10(6-12-10)7-13-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKey
SSQCJMSDNHVQCA-UHFFFAOYSA-N
Canonic Smiles
CC1(OC1)CSc1ccc(cc1)Cl
Isomeric Smiles
O1C(C1)(CSc1ccc(cc1)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0676656
LogD (pH = 7.4)
3.0676656
Log P
3.0676656
Molar Refractivity
57.2078
Polarizability
22.563087
Polar Surface Area
12.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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