Molecule

ID:10478

General Information
Structure
MolImage
Molecular Formula
C₃H₃F₆NO
Molecular Mass
183.0524392
Exact Mass
183.01188304
Charge
0
InChI
InChI=1S/C3H3F6NO/c4-2(5,6)1(10,11)3(7,8)9/h11H,10H2
InChIKey
KENSSLIXPGVLRV-UHFFFAOYSA-N
Canonic Smiles
NC(C(F)(F)F)(C(F)(F)F)O
Isomeric Smiles
NC(C(F)(F)F)(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
6.7026606
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1284238
LogD (pH = 7.4)
0.3801831
Log P
1.1548166
Molar Refractivity
21.9565
Polarizability
8.479655
Polar Surface Area
46.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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