Molecule

ID:33663

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₃N₂
Molecular Mass
176.1390896
Exact Mass
176.05613289
Charge
0
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)6-3-5(11-12-6)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKey
SUCMXFIPSVVVQE-UHFFFAOYSA-N
Canonic Smiles
FC(c1n[nH]c(c1)C1CC1)(F)F
Isomeric Smiles
c1(n[nH]c(c1)C1CC1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
13.695594
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1644554
LogD (pH = 7.4)
2.164459
Log P
2.1644592
Molar Refractivity
37.6902
Polarizability
13.198949
Polar Surface Area
28.68
Rotatable Bonds
2
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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