Molecule
ID:66968
General Information
Molecular Formula
C₇H₅FN₂O
Molecular Mass
152.1258032
Exact Mass
152.03859101
Charge
0
InChI
InChI=1S/C7H5FN2O/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)
InChIKey
AOAYZOWGECIQOH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)onc2N
Isomeric Smiles
Nc1noc2c1ccc(c2)F
Calculated Properties
JChem
Acid pKa
16.784624
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2648897
LogD (pH = 7.4)
1.2649025
Log P
1.2649026
Molar Refractivity
39.058
Polarizability
14.644602
Polar Surface Area
52.05
Rotatable Bonds
0
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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