Molecule

ID:52612

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅F₂NO₄
Molecular Mass
299.2700064
Exact Mass
299.09691441
Charge
0
InChI
InChI=1S/C14H15F2NO4/c1-20-12(18)11-7-14(15,16)9-17(11)13(19)21-8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1
InChIKey
RLNDGFBHTWITPR-NSHDSACASA-N
Canonic Smiles
COC(=O)[C@@H]1CC(CN1C(=O)OCc1ccccc1)(F)F
Isomeric Smiles
[C@H]1(CC(CN1C(=O)OCc1ccccc1)(F)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3960826
LogD (pH = 7.4)
2.3960826
Log P
2.3960826
Molar Refractivity
68.2453
Polarizability
26.62433
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
No Data Available
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Molecule Details
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References
Bioactivity
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