Molecule

ID:100197

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FO
Molecular Mass
166.1921432
Exact Mass
166.07939319
Charge
0
InChI
InChI=1S/C10H11FO/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3,5-7H,1,4H2,2H3
InChIKey
DAPPOZGBOWCXOU-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccc(c(c1)F)OC
Isomeric Smiles
O(c1c(cc(cc1)CC=C)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0568473
LogD (pH = 7.4)
3.0568473
Log P
3.0568473
Molar Refractivity
47.0249
Polarizability
17.775505
Polar Surface Area
9.23
Rotatable Bonds
3
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
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References
Bioactivity
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