Molecule

ID:81560

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂N₂O₃S
Molecular Mass
311.18488
Exact Mass
309.99456861
Charge
0
InChI
InChI=1S/C10H12Cl2N2O3S/c1-17-6-9(12)10(13)14-18(15,16)8-4-2-7(11)3-5-8/h2-5,9H,6H2,1H3,(H2,13,14)
InChIKey
JMRJFKAVGQWOMZ-UHFFFAOYSA-N
Canonic Smiles
COCC(C(=N)NS(=O)(=O)c1ccc(cc1)Cl)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)NC(=N)C(Cl)COC
Calculated Properties
JChem
Acid pKa
9.265516
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.886847
LogD (pH = 7.4)
1.8817109
Log P
1.8869157
Molar Refractivity
80.6006
Polarizability
28.2591
Polar Surface Area
79.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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