Molecule

ID:96852

General Information
Structure
Molecular Formula
C₈H₆FNO
Molecular Mass
151.1377432
Exact Mass
151.04334204
Charge
0
InChI
InChI=1S/C8H6FNO/c9-8-5-3-4-10-6(5)1-2-7(8)11/h1-4,10-11H
InChIKey
KYZNICPMZHBROC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1F)cc[nH]2
Isomeric Smiles
[nH]1c2c(c(c(cc2)O)F)cc1
Calculated Properties
JChem
Acid pKa
7.8828673
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.9093643
LogD (pH = 7.4)
1.7887993
Log P
1.9111444
Molar Refractivity
39.3418
Polarizability
15.785054
Polar Surface Area
36.02
Rotatable Bonds
0
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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