Molecule

ID:9316

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₃O
Molecular Mass
174.1199096
Exact Mass
174.02924944
Charge
0
InChI
InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H
InChIKey
NMTUHPSKJJYGML-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1c(C=O)cccc1C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5635967
LogD (pH = 7.4)
2.5635967
Log P
2.5635967
Molar Refractivity
38.6157
Polarizability
13.456357
Polar Surface Area
17.07
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
References
Bioactivity
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