Molecule

ID:66595

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FNO₂
Molecular Mass
195.1903032
Exact Mass
195.06955679
Charge
0
InChI
InChI=1S/C10H10FNO2/c1-2-5-14-10(13)7-3-4-9(12)8(11)6-7/h2-4,6H,1,5,12H2
InChIKey
XCRZAIPPBHIKOR-UHFFFAOYSA-N
Canonic Smiles
C=CCOC(=O)c1ccc(c(c1)F)N
Isomeric Smiles
C(=O)(c1cc(c(cc1)N)F)OCC=C
Calculated Properties
JChem
Acid pKa
17.010164
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0217328
LogD (pH = 7.4)
2.0217483
Log P
2.0217485
Molar Refractivity
52.1628
Polarizability
19.029524
Polar Surface Area
52.32
Rotatable Bonds
4
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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