Molecule

ID:122584

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO₄S
Molecular Mass
257.73494
Exact Mass
257.04885668
Charge
0
InChI
InChI=1S/C8H15NO4S.ClH/c1-13-8(10)2-4-9-7-3-5-14(11,12)6-7;/h7,9H,2-6H2,1H3;1H
InChIKey
RIZGWILPUUAOFW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNC1CCS(=O)(=O)C1.Cl
Isomeric Smiles
S1(=O)(=O)CC(CC1)NCCC(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.083875
LogD (pH = 7.4)
-2.350432
Log P
-1.5519048
Molar Refractivity
50.7975
Polarizability
21.30355
Polar Surface Area
72.47
Rotatable Bonds
5
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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