Molecule

ID:14437

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₂S
Molecular Mass
260.74042
Exact Mass
260.03862635
Charge
0
InChI
InChI=1S/C10H13ClN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
CKVKEBVACPUEIB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)N1CCNCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.56689966
LogD (pH = 7.4)
0.8961543
Log P
1.094745
Molar Refractivity
63.5695
Polarizability
25.684599
Polar Surface Area
49.41
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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