Molecule

ID:53740

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClFN₂O₄
Molecular Mass
346.7817032
Exact Mass
346.10956303
Charge
0
InChI
InChI=1S/C15H19FN2O4.ClH/c1-3-22-15(19)11-4-6-17(7-5-11)13-8-10(2)12(16)9-14(13)18(20)21;/h8-9,11H,3-7H2,1-2H3;1H
InChIKey
PYAINGQIYTYMTL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1cc(C)c(cc1[N+](=O)[O-])F.Cl
Isomeric Smiles
c1([N+](=O)[O-])c(N2CCC(C(=O)OCC)CC2)cc(c(c1)F)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2531483
LogD (pH = 7.4)
3.253209
Log P
3.2532098
Molar Refractivity
80.9685
Polarizability
29.649557
Polar Surface Area
75.36
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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