Molecule

ID:116342

General Information
Structure
Molecular Formula
C₁₀H₁₁Cl₂NO₃S₂
Molecular Mass
328.23524
Exact Mass
326.95574058
Charge
0
InChI
InChI=1S/C10H11Cl2NO3S2/c11-8-3-4-9(17-8)18(15,16)13-5-1-2-7(6-13)10(12)14/h3-4,7H,1-2,5-6H2
InChIKey
DCDSUVCGSLKNCS-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(s1)Cl
Isomeric Smiles
S(=O)(=O)(c1sc(cc1)Cl)N1CC(C(=O)Cl)CCC1
Calculated Properties
JChem
Acid pKa
19.449894
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.505455
LogD (pH = 7.4)
2.505455
Log P
2.505455
Molar Refractivity
70.3261
Polarizability
28.736786
Polar Surface Area
54.45
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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