Molecule

ID:101148

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClO₂S
Molecular Mass
286.81746
Exact Mass
286.07942853
Charge
0
InChI
InChI=1S/C14H19ClO2S/c1-13(2)7-8-14(3,4)12-9-10(18(15,16)17)5-6-11(12)13/h5-6,9H,7-8H2,1-4H3
InChIKey
BEAYCJSJSMOLFG-UHFFFAOYSA-N
Canonic Smiles
CC1(C)CCC(c2c1cc(cc2)S(=O)(=O)Cl)(C)C
Isomeric Smiles
S(=O)(=O)(c1cc2c(C(CCC2(C)C)(C)C)cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5459356
LogD (pH = 7.4)
4.5459356
Log P
4.5459356
Molar Refractivity
75.7818
Polarizability
30.192846
Polar Surface Area
34.14
Rotatable Bonds
1
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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