Molecule
ID:96556
General Information
Molecular Formula
C₉H₁₀F₂O
Molecular Mass
172.1719064
Exact Mass
172.06997138
Charge
0
InChI
InChI=1S/C9H10F2O/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6H,2,5H2,1H3
InChIKey
ALRJBMLLALWBCH-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1F)F
Isomeric Smiles
Fc1cc(ccc1OCCC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9803088
LogD (pH = 7.4)
2.9803088
Log P
2.9803088
Molar Refractivity
42.2266
Polarizability
15.928156
Polar Surface Area
9.23
Rotatable Bonds
3
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
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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