Molecule

ID:41123

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₃N₂
Molecular Mass
164.1283896
Exact Mass
164.05613289
Charge
0
InChI
InChI=1S/C6H7F3N2/c7-6(8,9)5-1-2-10-3-4-11-5/h1-2,10H,3-4H2
InChIKey
DQLAMAHCMYJIBW-UHFFFAOYSA-N
Canonic Smiles
FC(C1=NCCNC=C1)(F)F
Isomeric Smiles
C1(=NCCNC=C1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9433648
LogD (pH = 7.4)
1.2587488
Log P
1.2647011
Molar Refractivity
35.2473
Polarizability
12.187606
Polar Surface Area
24.39
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
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Molecule Details
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References
Bioactivity
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