Molecule
ID:22551
General Information
Molecular Formula
C₈H₈FNO₂
Molecular Mass
169.1530232
Exact Mass
169.05390672
Charge
0
InChI
InChI=1S/C8H8FNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3
InChIKey
GAOUAPNRNSFZGW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cncc(c1)F
Isomeric Smiles
C(=O)(c1cc(cnc1)F)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2585526
LogD (pH = 7.4)
1.2585602
Log P
1.2585603
Molar Refractivity
40.8914
Polarizability
15.451703
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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