Molecule

ID:56775

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃ClOS
Molecular Mass
252.75972
Exact Mass
252.03756372
Charge
0
InChI
InChI=1S/C13H13ClOS/c1-13(2,3)8-4-5-9-10(12(14)15)7-16-11(9)6-8/h4-7H,1-3H3
InChIKey
CWUZGYPRFHTQQJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1csc2c1ccc(c2)C(C)(C)C
Isomeric Smiles
c1(csc2c1ccc(c2)C(C)(C)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5852394
LogD (pH = 7.4)
4.5852394
Log P
4.5852394
Molar Refractivity
69.1787
Polarizability
27.535229
Polar Surface Area
17.07
Rotatable Bonds
2
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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