Molecule
ID:66253
General Information
Molecular Formula
C₉H₁₀FNO₂
Molecular Mass
183.1796032
Exact Mass
183.06955679
Charge
0
InChI
InChI=1S/C9H10FNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3
InChIKey
SPGMDXDPJKEDGC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)F)N
Isomeric Smiles
C(=O)(c1cc(c(cc1)N)F)OCC
Calculated Properties
JChem
Acid pKa
17.016884
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6472918
LogD (pH = 7.4)
1.6473066
Log P
1.6473067
Molar Refractivity
47.7487
Polarizability
17.4532
Polar Surface Area
52.32
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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