Molecule
ID:10269
General Information
Molecular Formula
C₉H₅F₂NO
Molecular Mass
181.1389064
Exact Mass
181.03392023
Charge
0
InChI
InChI=1S/C9H5F2NO/c10-6-1-2-8(11)7(5-6)9-3-4-12-13-9/h1-5H
InChIKey
OLFSZSGTSDWIEW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)c1ccno1)F
Isomeric Smiles
c1cnoc1c1c(ccc(c1)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1904206
LogD (pH = 7.4)
2.1904216
Log P
2.1904216
Molar Refractivity
42.9465
Polarizability
16.647783
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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