Molecule

ID:8137

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₃O
Molecular Mass
162.1092096
Exact Mass
162.02924944
Charge
0
InChI
InChI=1S/C7H5F3O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3
InChIKey
LIVNSQZJDRPZKP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1F)F)F
Isomeric Smiles
Fc1ccc(c(c1F)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2436805
LogD (pH = 7.4)
2.2436805
Log P
2.2436805
Molar Refractivity
33.1704
Polarizability
12.178554
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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