Molecule

ID:62635

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O₂S
Molecular Mass
288.79358
Exact Mass
288.06992647
Charge
0
InChI
InChI=1S/C12H17ClN2O2S/c1-18(16,17)15-8-2-3-11(15)6-4-10-5-7-12(13)14-9-10/h5,7,9,11H,2-4,6,8H2,1H3
InChIKey
VWMYYIMHPZLFTN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)CCC1CCCN1S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1C(CCc2cnc(Cl)cc2)CCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4419079
LogD (pH = 7.4)
1.4419194
Log P
1.4419196
Molar Refractivity
72.7493
Polarizability
28.877037
Polar Surface Area
50.27
Rotatable Bonds
3
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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