Molecule

ID:26858

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂OS
Molecular Mass
287.16502
Exact Mass
285.97343925
Charge
0
InChI
InChI=1S/C11H8Cl2N2OS/c12-5-10(16)15-11-14-9(6-17-11)7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,14,15,16)
InChIKey
VZQNWGOICMITDH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1scc(n1)c1ccc(cc1)Cl
Isomeric Smiles
c1(nc(cs1)c1ccc(cc1)Cl)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.591818
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7284596
LogD (pH = 7.4)
3.7281978
Log P
3.7284632
Molar Refractivity
69.9249
Polarizability
27.672577
Polar Surface Area
41.99
Rotatable Bonds
3
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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