Molecule

ID:30109

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClNO₃S
Molecular Mass
243.75142
Exact Mass
243.06959212
Charge
0
InChI
InChI=1S/C8H17NO3S.ClH/c1-12-5-2-4-9-8-3-6-13(10,11)7-8;/h8-9H,2-7H2,1H3;1H
InChIKey
NYMUXTBWEPNXQT-UHFFFAOYSA-N
Canonic Smiles
COCCCNC1CCS(=O)(=O)C1.Cl
Isomeric Smiles
S1(=O)(=O)CC(CC1)NCCCOC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.349807
LogD (pH = 7.4)
-2.7724533
Log P
-1.3998107
Molar Refractivity
51.1533
Polarizability
21.170586
Polar Surface Area
55.4
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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