Molecule

ID:96559

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClFNOS
Molecular Mass
269.7223632
Exact Mass
269.00774081
Charge
0
InChI
InChI=1S/C12H9ClFNOS/c13-10-5-3-4-9(12(10)14)8-17-11-6-1-2-7-15(11)16/h1-7H,8H2
InChIKey
VIJSDJABRHCHNV-UHFFFAOYSA-N
Canonic Smiles
Fc1c(cccc1Cl)CSc1cccc[n+]1[O-]
Isomeric Smiles
[n+]1(c(cccc1)SCc1c(c(ccc1)Cl)F)[O-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0979526
LogD (pH = 7.4)
3.0979533
Log P
3.0979533
Molar Refractivity
69.2543
Polarizability
25.985111
Polar Surface Area
25.46
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
No Data Available
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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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