Molecule

ID:56777

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClOS
Molecular Mass
266.7863
Exact Mass
266.05321378
Charge
0
InChI
InChI=1S/C14H15ClOS/c1-4-14(2,3)9-5-6-10-11(13(15)16)8-17-12(10)7-9/h5-8H,4H2,1-3H3
InChIKey
UHIIXZYVBNUBDF-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc2c(c1)scc2C(=O)Cl)(C)C
Isomeric Smiles
c1(csc2c1ccc(c2)C(CC)(C)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.029808
LogD (pH = 7.4)
5.029808
Log P
5.029808
Molar Refractivity
73.7797
Polarizability
29.377962
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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