Molecule

ID:98407

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₂O
Molecular Mass
158.1453264
Exact Mass
158.05432132
Charge
0
InChI
InChI=1S/C8H8F2O/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5H,2H2,1H3
InChIKey
FWGGXGUIXTZGJT-UHFFFAOYSA-N
Canonic Smiles
CCOc1c(F)cccc1F
Isomeric Smiles
O(c1c(cccc1F)F)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4577863
LogD (pH = 7.4)
2.4577863
Log P
2.4577863
Molar Refractivity
37.7026
Polarizability
14.113014
Polar Surface Area
9.23
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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