Molecule

ID:62634

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)16-7-2-3-11(6-8-16)9-12-4-5-13(14)15-10-12/h4-5,10-11H,2-3,6-9H2,1H3
InChIKey
IZYAUBRLPXXQIZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)CC1CCCN(CC1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CCC(Cc2cnc(Cl)cc2)CCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6789389
LogD (pH = 7.4)
1.6789781
Log P
1.6789786
Molar Refractivity
77.5571
Polarizability
30.63322
Polar Surface Area
50.27
Rotatable Bonds
2
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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