Molecule

ID:56776

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClOS
Molecular Mass
270.81806
Exact Mass
270.08451391
Charge
0
InChI
InChI=1S/C14H19ClOS/c1-4-14(2,3)9-5-6-10-11(13(15)16)8-17-12(10)7-9/h8-9H,4-7H2,1-3H3
InChIKey
AUCOGUFDHGLBFW-UHFFFAOYSA-N
Canonic Smiles
CCC(C1CCc2c(C1)scc2C(=O)Cl)(C)C
Isomeric Smiles
c1(c2c(sc1)CC(C(CC)(C)C)CC2)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2925167
LogD (pH = 7.4)
5.2925167
Log P
5.2925167
Molar Refractivity
74.4731
Polarizability
28.430674
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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