Molecule

ID:81787

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₃N₂OS
Molecular Mass
321.61008
Exact Mass
319.93446689
Charge
0
InChI
InChI=1S/C11H7Cl3N2OS/c1-16-10(14)9(5-15-16)11(17)18-8-3-6(12)2-7(13)4-8/h2-5H,1H3
InChIKey
DNLASJGXUDWSLV-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cc(c1)Cl)SC(=O)c1cnn(c1Cl)C
Isomeric Smiles
n1cc(c(n1C)Cl)C(=O)Sc1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0642343
LogD (pH = 7.4)
4.0642405
Log P
4.0642405
Molar Refractivity
87.6231
Polarizability
29.246195
Polar Surface Area
34.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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