Molecule

ID:99422

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃NO
Molecular Mass
175.1079696
Exact Mass
175.02449841
Charge
0
InChI
InChI=1S/C7H4F3NO/c8-7(9,10)5-2-1-3-11-6(5)4-12/h1-4H
InChIKey
FIIIEUQXYKDPRD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ncccc1C(F)(F)F
Isomeric Smiles
n1c(c(ccc1)C(F)(F)F)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0196474
LogD (pH = 7.4)
2.020457
Log P
2.0204673
Molar Refractivity
36.0736
Polarizability
12.701639
Polar Surface Area
29.96
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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