Molecule

ID:6901

General Information
Structure
Molecular Formula
C₁₁H₁₃FO₂
Molecular Mass
196.2181232
Exact Mass
196.08995788
Charge
0
InChI
InChI=1S/C11H13FO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChIKey
ZZLARVGXLOCKHG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)F)OC(C)(C)C
Isomeric Smiles
c1c(ccc(c1)F)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1733844
LogD (pH = 7.4)
3.1733844
Log P
3.1733844
Molar Refractivity
52.1053
Polarizability
19.946602
Polar Surface Area
26.3
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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