Molecule

ID:9672

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FO₂
Molecular Mass
206.2129432
Exact Mass
206.07430781
Charge
0
InChI
InChI=1S/C12H11FO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2
InChIKey
LBTLJACXBCUFEF-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(CC(=O)C1)c1ccc(cc1)F
Isomeric Smiles
c1cc(ccc1C1CC(=O)CC(=O)C1)F
Calculated Properties
JChem
Acid pKa
8.762255
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3841987
LogD (pH = 7.4)
2.3659868
Log P
2.384436
Molar Refractivity
53.8006
Polarizability
20.478676
Polar Surface Area
34.14
Rotatable Bonds
1
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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