Molecule

ID:22099

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁ClN₂O₂S
Molecular Mass
304.83604
Exact Mass
304.1012266
Charge
0
InChI
InChI=1S/C13H20N2O2S.ClH/c1-2-18(16,17)13-6-4-12(5-7-13)15-10-3-8-14-9-11-15;/h4-7,14H,2-3,8-11H2,1H3;1H
InChIKey
JUGAIBNPUJJGEQ-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)c1ccc(cc1)N1CCNCCC1.Cl
Isomeric Smiles
Cl.c1c(ccc(c1)N1CCCNCC1)S(=O)(=O)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2069068
LogD (pH = 7.4)
-1.05625
Log P
0.9546268
Molar Refractivity
74.7766
Polarizability
29.290329
Polar Surface Area
49.41
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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