Molecule

ID:52610

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆FNO₄
Molecular Mass
281.2795432
Exact Mass
281.10633622
Charge
0
InChI
InChI=1S/C14H16FNO4/c1-19-13(17)12-7-11(15)8-16(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-/m0/s1
InChIKey
FDPGMTFRBRCTSR-RYUDHWBXSA-N
Canonic Smiles
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OCc1ccccc1)F
Isomeric Smiles
[C@H]1(C[C@@H](CN1C(=O)OCc1ccccc1)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7458533
LogD (pH = 7.4)
1.7458533
Log P
1.7458533
Molar Refractivity
68.2613
Polarizability
26.79496
Polar Surface Area
55.84
Rotatable Bonds
5
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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