Molecule
ID:8528
General Information
Molecular Formula
C₁₂H₉FO
Molecular Mass
188.1976632
Exact Mass
188.06374313
Charge
0
InChI
InChI=1S/C12H9FO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
InChIKey
PVFAQWWQJZQMBN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1Oc1ccccc1
Isomeric Smiles
c1ccc(c(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
20.302267
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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