Molecule

ID:41564

General Information
Structure
Molecular Formula
C₁₀H₁₂FNO₂
Molecular Mass
197.2061832
Exact Mass
197.08520685
Charge
0
InChI
InChI=1S/C10H12FNO2/c1-6-2-3-7(4-8(6)11)9(12)5-10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)
InChIKey
ASFYTWUDZJKSFS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccc(c(c1)F)C)N
Isomeric Smiles
C(C(=O)O)C(c1cc(c(cc1)C)F)N
Calculated Properties
JChem
Acid pKa
3.61916
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7372911
LogD (pH = 7.4)
-0.73451316
Log P
-0.7334638
Molar Refractivity
50.2432
Polarizability
19.354607
Polar Surface Area
63.32
Rotatable Bonds
3
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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