Molecule

ID:30887

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClNO₄S
Molecular Mass
239.6766
Exact Mass
239.00190649
Charge
0
InChI
InChI=1S/C7H10ClNO4S/c8-14(12,13)5-4-9-6(10)2-1-3-7(9)11/h1-5H2
InChIKey
XDXWYZCUAJWIGN-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC(=O)N1CCS(=O)(=O)Cl
Isomeric Smiles
N1(C(=O)CCCC1=O)CCS(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.5395398
LogD (pH = 7.4)
-0.5395398
Log P
-0.5395398
Molar Refractivity
50.0371
Polarizability
20.512371
Polar Surface Area
71.52
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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