Molecule

ID:68077

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₄S
Molecular Mass
283.77222
Exact Mass
283.06450674
Charge
0
InChI
InChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-6-4-8(5-7-12)17(11,14)15/h8H,4-7H2,1-3H3
InChIKey
VJAHMDQRVLEOFG-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)S(=O)(=O)Cl)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)S(=O)(=O)Cl)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0363524
LogD (pH = 7.4)
1.0363524
Log P
1.0363524
Molar Refractivity
65.5023
Polarizability
26.545443
Polar Surface Area
63.68
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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