Molecule

ID:101952

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂F₃NS
Molecular Mass
274.0902696
Exact Mass
272.93936015
Charge
0
InChI
InChI=1S/C8H4Cl2F3NS/c9-4-1-3(8(11,12)13)2-5(10)6(4)7(14)15/h1-2H,(H2,14,15)
InChIKey
ZXZUKFXTMAIPTC-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1c(Cl)cc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(c(cc(C(F)(F)F)cc1Cl)Cl)C(=S)N
Calculated Properties
JChem
Acid pKa
9.668419
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.7997198
LogD (pH = 7.4)
3.8017666
Log P
3.7996936
Molar Refractivity
58.7106
Polarizability
21.596624
Polar Surface Area
26.02
Rotatable Bonds
2
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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