Molecule

ID:56789

General Information
Structure
MolImage
Molecular Formula
C₉H₃Cl₂FOS
Molecular Mass
249.0889232
Exact Mass
247.9265693
Charge
0
InChI
InChI=1S/C9H3Cl2FOS/c10-7-6-4(12)2-1-3-5(6)14-8(7)9(11)13/h1-3H
InChIKey
NCSFYRPKSHPTFE-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1sc2c(c1Cl)c(F)ccc2
Isomeric Smiles
c1(c(c2c(s1)cccc2F)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9193692
LogD (pH = 7.4)
3.9193692
Log P
3.9193692
Molar Refractivity
55.3181
Polarizability
21.959833
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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