Molecule

ID:97121

General Information
Structure
MolImage
Molecular Formula
C₉H₃F₁₄NO₂
Molecular Mass
423.1032648
Exact Mass
422.99402342
Charge
0
InChI
InChI=1S/C9H3F14NO2/c1-24(2(25)4(10,11)6(14,15)8(18,19)20)3(26)5(12,13)7(16,17)9(21,22)23/h1H3
InChIKey
BCQYNSPESDDJBZ-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
N(C)(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(F)(F)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.249224
LogD (pH = 7.4)
4.249224
Log P
4.249224
Molar Refractivity
49.6209
Polarizability
18.911093
Polar Surface Area
37.38
Rotatable Bonds
6
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
References
Bioactivity
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