Molecule

ID:26247

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂OS
Molecular Mass
287.16502
Exact Mass
285.97343925
Charge
0
InChI
InChI=1S/C11H8Cl2N2OS/c12-5-1-2-6(8(13)3-5)7-4-17-11(15)9(7)10(14)16/h1-4H,15H2,(H2,14,16)
InChIKey
HOLTYZQOLPJTMW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1csc(c1C(=O)N)N
Isomeric Smiles
c1(c(csc1N)c1c(cc(cc1)Cl)Cl)C(=O)N
Calculated Properties
JChem
Acid pKa
15.454315
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.4467127
LogD (pH = 7.4)
3.4467127
Log P
3.4467127
Molar Refractivity
70.8483
Polarizability
27.69398
Polar Surface Area
69.11
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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