Molecule

ID:85990

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNOS₂
Molecular Mass
283.7969
Exact Mass
282.98923363
Charge
0
InChI
InChI=1S/C12H10ClNOS2/c13-9-1-3-10(4-2-9)15-7-8-5-6-17-11(8)12(14)16/h1-6H,7H2,(H2,14,16)
InChIKey
OHUPQDLFUJZFOM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCc1ccsc1C(=S)N
Isomeric Smiles
s1c(c(cc1)COc1ccc(cc1)Cl)C(=S)N
Calculated Properties
JChem
Acid pKa
15.01085
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7974837
LogD (pH = 7.4)
3.7974837
Log P
3.7974837
Molar Refractivity
75.8978
Polarizability
29.16427
Polar Surface Area
35.25
Rotatable Bonds
4
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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