Molecule

ID:62885

General Information
Structure
MolImage
Molecular Formula
C₉H₂₂ClN₃O₂S
Molecular Mass
271.80788
Exact Mass
271.11212564
Charge
0
InChI
InChI=1S/C9H21N3O2S.ClH/c1-12(2)15(13,14)11-8-6-9-5-3-4-7-10-9;/h9-11H,3-8H2,1-2H3;1H
InChIKey
UWEZMUNLXYQECX-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)NCCC1CCCCN1)C.Cl
Isomeric Smiles
S(=O)(=O)(N(C)C)NCCC1NCCCC1.Cl
Calculated Properties
JChem
Acid pKa
11.878895
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.942062
LogD (pH = 7.4)
-3.3865678
Log P
-0.8416039
Molar Refractivity
60.9337
Polarizability
24.960646
Polar Surface Area
61.44
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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