Molecule

ID:26758

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄Cl₂N₂OS
Molecular Mass
341.25546
Exact Mass
340.02038944
Charge
0
InChI
InChI=1S/C15H14Cl2N2OS/c16-8-5-6-10(17)11(7-8)19-15(20)13-9-3-1-2-4-12(9)21-14(13)18/h5-7H,1-4,18H2,(H,19,20)
InChIKey
XBHQCKQTWWWHRQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)NC(=O)c1c(N)sc2c1CCCC2)Cl
Isomeric Smiles
c1(c(sc2c1CCCC2)N)C(=O)Nc1cc(ccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
9.765158
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.625402
LogD (pH = 7.4)
5.6236496
Log P
5.6254253
Molar Refractivity
89.5875
Polarizability
33.02617
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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