Molecule

ID:95077

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FO₂
Molecular Mass
190.1704832
Exact Mass
190.04300768
Charge
0
InChI
InChI=1S/C11H7FO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,(H,13,14)
InChIKey
FFZQPQHYIHFBID-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1cccc2F
Isomeric Smiles
Fc1c2cccc(c2ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5978148
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8655418
LogD (pH = 7.4)
-0.5807934
Log P
2.7630074
Molar Refractivity
49.9808
Polarizability
19.811779
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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