Molecule

ID:97056

General Information
Structure
MolImage
Molecular Formula
C₇HF₄N
Molecular Mass
175.0831528
Exact Mass
175.00451192
Charge
0
InChI
InChI=1S/C7HF4N/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1H
InChIKey
IOQMWOBRUDNEOA-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)c(F)cc(c1F)F
Isomeric Smiles
Fc1c(c(c(cc1F)F)F)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4001498
LogD (pH = 7.4)
2.4001498
Log P
2.4001498
Molar Refractivity
32.6452
Polarizability
11.444317
Polar Surface Area
23.79
Rotatable Bonds
0
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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