Molecule

ID:73230

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₃N₃O₄S₂
Molecular Mass
380.65582
Exact Mass
378.90218079
Charge
0
InChI
InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)
InChIKey
QOVTVIYTBRHADL-UHFFFAOYSA-N
Canonic Smiles
ClC(=C(c1cc(N)c(cc1S(=O)(=O)N)S(=O)(=O)N)Cl)Cl
Isomeric Smiles
c1(c(cc(c(c1)N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
9.608684
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.0014448083
LogD (pH = 7.4)
-8.9938194E-4
Log P
0.0014749547
Molar Refractivity
89.8763
Polarizability
31.498446
Polar Surface Area
146.34
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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