Molecule

ID:27415

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₂N₃S
Molecular Mass
203.2123864
Exact Mass
203.03287468
Charge
0
InChI
InChI=1S/C7H7F2N3S/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKey
RNPFEUCQZZXGCF-UHFFFAOYSA-N
Canonic Smiles
NNC(=S)Nc1ccc(cc1F)F
Isomeric Smiles
C(=S)(Nc1c(cc(cc1)F)F)NN
Calculated Properties
JChem
Acid pKa
9.19027
H Acceptors
1
H Donor
3
LogD (pH = 5.5)
1.7498012
LogD (pH = 7.4)
1.749496
Log P
1.7562084
Molar Refractivity
52.5055
Polarizability
18.696419
Polar Surface Area
50.08
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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