Molecule

ID:113465

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₄S₂
Molecular Mass
309.78958
Exact Mass
308.98962755
Charge
0
InChI
InChI=1S/C10H12ClNO4S2/c11-8-4-5-9(17-8)18(15,16)12-6-2-1-3-7(12)10(13)14/h4-5,7H,1-3,6H2,(H,13,14)
InChIKey
DHYQCHGTXGSQDV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCCN1S(=O)(=O)c1ccc(s1)Cl
Isomeric Smiles
S(=O)(=O)(N1C(C(=O)O)CCCC1)c1sc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.1609533
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.030471884
LogD (pH = 7.4)
-1.1686487
Log P
2.283413
Molar Refractivity
66.2116
Polarizability
27.312605
Polar Surface Area
74.68
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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