Molecule

ID:52385

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₂N₂S
Molecular Mass
188.1977464
Exact Mass
188.02197564
Charge
0
InChI
InChI=1S/C7H6F2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey
JBWSNSWRTOFDBM-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Nc1cc(F)ccc1F
Isomeric Smiles
N(C(=S)N)c1c(ccc(c1)F)F
Calculated Properties
JChem
Acid pKa
9.097685
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.0525799
LogD (pH = 7.4)
2.0444927
Log P
2.052684
Molar Refractivity
48.0214
Polarizability
17.259302
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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