Molecule

ID:101921

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₂NS
Molecular Mass
171.1672264
Exact Mass
170.99542654
Charge
0
InChI
InChI=1S/C7H3F2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChIKey
ABGGPKIFVAIRGU-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1F)F
Isomeric Smiles
C(=Nc1c(cc(cc1)F)F)=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2804747
LogD (pH = 7.4)
3.280475
Log P
3.280475
Molar Refractivity
43.5537
Polarizability
15.404113
Polar Surface Area
12.36
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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