Molecule

ID:56809

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClOS
Molecular Mass
256.79148
Exact Mass
256.06886384
Charge
0
InChI
InChI=1S/C13H17ClOS/c1-13(2,3)9-4-5-10-8(6-9)7-11(16-10)12(14)15/h7,9H,4-6H2,1-3H3
InChIKey
UPPWCYWFQFYWEG-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1sc2c(c1)CC(CC2)C(C)(C)C
Isomeric Smiles
c1(sc2c(c1)CC(C(C)(C)C)CC2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.980387
LogD (pH = 7.4)
4.980387
Log P
4.980387
Molar Refractivity
69.6562
Polarizability
26.599976
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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