Molecule

ID:7362

General Information
Structure
Molecular Formula
C₉H₁₀FNO₂
Molecular Mass
183.1796032
Exact Mass
183.06955679
Charge
0
InChI
InChI=1S/C9H10FNO2/c1-5-4-6(2-3-7(5)10)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)
InChIKey
QWEDLCFNJKCNNU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccc(c(c1)C)F)N
Isomeric Smiles
C(N)(c1ccc(c(c1)C)F)C(=O)O
Calculated Properties
JChem
Acid pKa
1.7796528
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8170762
LogD (pH = 7.4)
-0.8316977
Log P
-0.8170941
Molar Refractivity
45.6189
Polarizability
17.52724
Polar Surface Area
63.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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