Molecule

ID:26718

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆Cl₂N₂OS
Molecular Mass
355.28204
Exact Mass
354.0360395
Charge
0
InChI
InChI=1S/C16H16Cl2N2OS/c17-9-6-7-11(18)12(8-9)20-16(21)14-10-4-2-1-3-5-13(10)22-15(14)19/h6-8H,1-5,19H2,(H,20,21)
InChIKey
LWYLJJWWXFUUIA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)NC(=O)c1c(N)sc2c1CCCCC2)Cl
Isomeric Smiles
c1(c(sc2c1CCCCC2)N)C(=O)Nc1cc(ccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
9.765164
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.0699706
LogD (pH = 7.4)
6.068218
Log P
6.0699944
Molar Refractivity
94.1885
Polarizability
34.85608
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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