Molecule

ID:8177

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₃N
Molecular Mass
161.1244496
Exact Mass
161.04523386
Charge
0
InChI
InChI=1S/C7H6F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2
InChIKey
ITWONDJIBWNPOK-UHFFFAOYSA-N
Canonic Smiles
NCc1c(F)ccc(c1F)F
Isomeric Smiles
c1cc(c(c(c1F)CN)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1533347
LogD (pH = 7.4)
0.4586456
Log P
1.5271201
Molar Refractivity
35.1806
Polarizability
12.908449
Polar Surface Area
26.02
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
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References
Bioactivity
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