Molecule
ID:45132
General Information
Molecular Formula
C₉H₄ClFOS
Molecular Mass
214.6438632
Exact Mass
213.96554165
Charge
0
InChI
InChI=1S/C9H4ClFOS/c10-9(12)8-4-5-3-6(11)1-2-7(5)13-8/h1-4H
InChIKey
ZKGYNEVYYSCZJA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)cc(s2)C(=O)Cl
Isomeric Smiles
c1(sc2c(c1)cc(cc2)F)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3153245
LogD (pH = 7.4)
3.3153245
Log P
3.3153245
Molar Refractivity
50.5133
Polarizability
19.971775
Polar Surface Area
17.07
Rotatable Bonds
1
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
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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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