Molecule

ID:8897

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₃O
Molecular Mass
162.1092096
Exact Mass
162.02924944
Charge
0
InChI
InChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey
GQHWSLKNULCZGI-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccccc1)(F)F
Isomeric Smiles
C(Oc1ccccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4043574
LogD (pH = 7.4)
3.4043574
Log P
3.4043574
Molar Refractivity
29.1283
Polarizability
12.278292
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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