Molecule

ID:95649

General Information
Structure
Molecular Formula
C₁₁H₈FNO
Molecular Mass
189.1857232
Exact Mass
189.0589921
Charge
0
InChI
InChI=1S/C11H8FNO/c12-10-3-1-2-8(6-10)11(14)9-4-5-13-7-9/h1-7,13H
InChIKey
BICLSIXTYMHPBU-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(=O)c1c[nH]cc1
Isomeric Smiles
[nH]1cc(C(=O)c2cc(ccc2)F)cc1
Calculated Properties
JChem
Acid pKa
14.702911
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.655185
LogD (pH = 7.4)
2.655185
Log P
2.655185
Molar Refractivity
51.6087
Polarizability
19.346022
Polar Surface Area
32.86
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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