Molecule

ID:29792

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₃N
Molecular Mass
161.1244496
Exact Mass
161.04523386
Charge
0
InChI
InChI=1S/C7H6F3N/c1-5-3-2-4-6(11-5)7(8,9)10/h2-4H,1H3
InChIKey
UTGYDHHZGXOFMZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)C(F)(F)F
Isomeric Smiles
c1(cccc(n1)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1504326
LogD (pH = 7.4)
2.1506398
Log P
2.1506424
Molar Refractivity
34.0943
Polarizability
12.427605
Polar Surface Area
12.89
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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