Molecule
ID:82388
General Information
Molecular Formula
C₁₂H₁₀ClNOS₂
Molecular Mass
283.7969
Exact Mass
282.98923363
Charge
0
InChI
InChI=1S/C12H10ClNOS2/c1-16-12(17-2)10(7-14)11(15)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChIKey
LFTHVHSELNRTRB-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C(SC)SC)C(=O)c1cccc(c1)Cl
Isomeric Smiles
N#CC(=C(SC)SC)C(=O)c1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.191806
LogD (pH = 7.4)
4.191806
Log P
4.191806
Molar Refractivity
85.7791
Polarizability
29.065748
Polar Surface Area
40.86
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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