Molecule

ID:62069

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₂S
Molecular Mass
302.82016
Exact Mass
302.08557654
Charge
0
InChI
InChI=1S/C13H19ClN2O2S/c1-19(17,18)16-9-3-2-4-12(16)6-5-11-7-8-15-13(14)10-11/h7-8,10,12H,2-6,9H2,1H3
InChIKey
IRLLCLQGEFVVES-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)CCC1CCCCN1S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1C(CCc2cc(ncc2)Cl)CCCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8864725
LogD (pH = 7.4)
1.8864881
Log P
1.8864882
Molar Refractivity
77.3503
Polarizability
30.709171
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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