Molecule

ID:30866

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂FNO₂
Molecular Mass
197.2061832
Exact Mass
197.08520685
Charge
0
InChI
InChI=1S/C10H12FNO2/c1-12(2)9(10(13)14)7-5-3-4-6-8(7)11/h3-6,9H,1-2H3,(H,13,14)
InChIKey
JCWUTEGWHABTTF-UHFFFAOYSA-N
Canonic Smiles
CN(C(c1ccccc1F)C(=O)O)C
Isomeric Smiles
c1(C(C(=O)O)N(C)C)c(F)cccc1
Calculated Properties
JChem
Acid pKa
1.1812044
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.97613055
LogD (pH = 7.4)
-1.0181875
Log P
-0.9757753
Molar Refractivity
50.647
Polarizability
19.424982
Polar Surface Area
40.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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