Molecule
ID:61582
General Information
Molecular Formula
C₈H₈FNO₂
Molecular Mass
169.1530232
Exact Mass
169.05390672
Charge
0
InChI
InChI=1S/C8H8FNO2/c1-2-12-8(11)7-6(9)4-3-5-10-7/h3-5H,2H2,1H3
InChIKey
RSPHTIQPMLLATO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncccc1F
Isomeric Smiles
c1(C(=O)OCC)ncccc1F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4444083
LogD (pH = 7.4)
1.4444106
Log P
1.4444106
Molar Refractivity
40.5194
Polarizability
15.458078
Polar Surface Area
39.19
Rotatable Bonds
3
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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