Molecule

ID:72352

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂Cl₂N₄O₃S
Molecular Mass
375.23038
Exact Mass
374.00071662
Charge
0
InChI
InChI=1S/C13H12Cl2N4O3S/c1-8(14)13(20)16-9-2-4-10(5-3-9)23(21,22)19-12-7-6-11(15)17-18-12/h2-8H,1H3,(H,16,20)(H,18,19)
InChIKey
SYGXVEJFHVRYCX-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)C)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)Cl
Isomeric Smiles
S(=O)(=O)(Nc1nnc(Cl)cc1)c1ccc(NC(=O)C(Cl)C)cc1
Calculated Properties
JChem
Acid pKa
6.151939
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.9494847
LogD (pH = 7.4)
1.2338904
Log P
2.0259664
Molar Refractivity
90.8863
Polarizability
34.092556
Polar Surface Area
101.05
Rotatable Bonds
4
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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