Molecule

ID:96621

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇Cl₂FN₂S
Molecular Mass
325.1881832
Exact Mass
323.96910281
Charge
0
InChI
InChI=1S/C14H7Cl2FN2S/c15-12-5-9(6-13(16)19-12)14-18-11(7-20-14)8-2-1-3-10(17)4-8/h1-7H
InChIKey
KIZVQSOSORWEHB-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1csc(n1)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1c(c2cc(nc(c2)Cl)Cl)scc1c1cc(ccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.26332
LogD (pH = 7.4)
5.263357
Log P
5.2633576
Molar Refractivity
90.9239
Polarizability
31.972103
Polar Surface Area
25.78
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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