Molecule

ID:71081

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀FN₃O₅
Molecular Mass
353.3455032
Exact Mass
353.13869898
Charge
0
InChI
InChI=1S/C16H20FN3O5/c1-16(2,3)25-15(22)19-8-6-18(7-9-19)14(21)12-10-11(20(23)24)4-5-13(12)17/h4-5,10H,6-9H2,1-3H3
InChIKey
LWONAYYXJOZYRR-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(ccc1F)[N+](=O)[O-])N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
c1(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(ccc(c1)[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1011891
LogD (pH = 7.4)
2.1011891
Log P
2.1011891
Molar Refractivity
88.2214
Polarizability
32.646187
Polar Surface Area
95.67
Rotatable Bonds
4
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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