Molecule

ID:65863

General Information
Structure
MolImage
Molecular Formula
C₉H₇FN₂O₂
Molecular Mass
194.1624832
Exact Mass
194.04915569
Charge
0
InChI
InChI=1S/C9H7FN2O2/c1-14-9(13)8-5-3-2-4-6(10)7(5)11-12-8/h2-4H,1H3,(H,11,12)
InChIKey
ILIKHLPMOCBIRX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1n[nH]c2c1cccc2F
Isomeric Smiles
c1cc(c2c(c1)c(n[nH]2)C(=O)OC)F
Calculated Properties
JChem
Acid pKa
7.6597414
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6254143
LogD (pH = 7.4)
1.4438417
Log P
1.6283369
Molar Refractivity
47.9428
Polarizability
18.775705
Polar Surface Area
54.98
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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