Molecule

ID:24592

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅ClN₂O₃S
Molecular Mass
266.745
Exact Mass
266.04919103
Charge
0
InChI
InChI=1S/C9H14N2O3S.ClH/c10-7-8-3-4-9(14-8)15(12,13)11-5-1-2-6-11;/h3-4H,1-2,5-7,10H2;1H
InChIKey
AIGWOLPSCUCMQX-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(o1)S(=O)(=O)N1CCCC1.Cl
Isomeric Smiles
S(=O)(=O)(c1oc(cc1)CN)N1CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3557024
LogD (pH = 7.4)
-0.70955455
Log P
-0.29226774
Molar Refractivity
55.6679
Polarizability
22.548737
Polar Surface Area
76.54
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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