Molecule

ID:24575

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂N₂O₂S
Molecular Mass
317.191
Exact Mass
315.98400393
Charge
0
InChI
InChI=1S/C12H10Cl2N2O2S/c13-11-6-3-9(7-12(11)14)16-19(17,18)10-4-1-8(15)2-5-10/h1-7,16H,15H2
InChIKey
CDCMAMVXGZBIAX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)Cl)Cl
Isomeric Smiles
S(=O)(=O)(Nc1cc(c(cc1)Cl)Cl)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
8.325744
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.8393447
LogD (pH = 7.4)
2.7972164
Log P
2.8400745
Molar Refractivity
77.2002
Polarizability
30.161448
Polar Surface Area
72.19
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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