Molecule
ID:10276
General Information
Molecular Formula
C₉H₆FNO
Molecular Mass
163.1484432
Exact Mass
163.04334204
Charge
0
InChI
InChI=1S/C9H6FNO/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H
InChIKey
VVZUMUHSTOCPTH-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1ccno1
Isomeric Smiles
c1cnoc1c1cccc(c1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0477176
LogD (pH = 7.4)
2.0477197
Log P
2.0477197
Molar Refractivity
42.7301
Polarizability
16.915142
Polar Surface Area
26.03
Rotatable Bonds
1
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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