Molecule

ID:98501

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁FO₂
Molecular Mass
170.1808432
Exact Mass
170.07430781
Charge
0
InChI
InChI=1S/C9H11FO2/c1-11-9(12-2)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3
InChIKey
GHRDHBIBFZLUJM-UHFFFAOYSA-N
Canonic Smiles
COC(c1ccccc1F)OC
Isomeric Smiles
Fc1c(cccc1)C(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.270627
LogD (pH = 7.4)
2.270627
Log P
2.270627
Molar Refractivity
43.6226
Polarizability
16.91349
Polar Surface Area
18.46
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
References
Bioactivity
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