Molecule

ID:8529

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉FO
Molecular Mass
188.1976632
Exact Mass
188.06374313
Charge
0
InChI
InChI=1S/C12H9FO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKey
AODSTUBSNYVSSL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1c(ccc(c1)Oc1ccccc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.616235
LogD (pH = 7.4)
3.616235
Log P
3.616235
Molar Refractivity
52.5152
Polarizability
20.302101
Polar Surface Area
9.23
Rotatable Bonds
2
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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