Molecule

ID:83482

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁ClS
Molecular Mass
292.86664
Exact Mass
292.10524935
Charge
0
InChI
InChI=1S/C17H21ClS/c18-16-7-14-6-15(8-16)10-17(9-14,12-16)19-11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKey
WHUUIKPSFCIYSK-UHFFFAOYSA-N
Canonic Smiles
ClC12CC3CC(C1)CC(C2)(C3)SCc1ccccc1
Isomeric Smiles
S(C12CC3(Cl)CC(C1)CC(C2)C3)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5909376
LogD (pH = 7.4)
4.5909376
Log P
4.5909376
Molar Refractivity
84.0074
Polarizability
33.28536
Polar Surface Area
0.0
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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