Molecule

ID:75965

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₅
Molecular Mass
322.35628
Exact Mass
322.15287181
Charge
0
InChI
InChI=1S/C16H22N2O5/c1-16(2,3)23-15(19)17-10-8-14(9-11-17)22-13-6-4-12(5-7-13)18(20)21/h4-7,14H,8-11H2,1-3H3
InChIKey
UNNMTKGKCWNQNU-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)Oc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Isomeric Smiles
O(c1ccc(cc1)[N+](=O)[O-])C1CCN(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.68251
LogD (pH = 7.4)
2.68251
Log P
2.68251
Molar Refractivity
84.9974
Polarizability
32.51284
Polar Surface Area
84.59
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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