Molecule

ID:93240

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₄N
Molecular Mass
179.1149128
Exact Mass
179.03581205
Charge
0
InChI
InChI=1S/C7H5F4N/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1H,2,12H2
InChIKey
HHYMPXUXPDPZGK-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(F)c(c(c1F)F)F
Isomeric Smiles
NCc1c(c(c(c(c1)F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.131567
LogD (pH = 7.4)
0.37126026
Log P
1.669822
Molar Refractivity
35.397
Polarizability
12.815138
Polar Surface Area
26.02
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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