Molecule

ID:75967

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)17-10-6-7-12(11-17)22-14-9-5-4-8-13(14)18(20)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKey
LDTYGQILEXWEFJ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC(C1)Oc1ccccc1[N+](=O)[O-])OC(C)(C)C
Isomeric Smiles
[N+](=O)(c1c(cccc1)OC1CCCN(C1)C(=O)OC(C)(C)C)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1399128
LogD (pH = 7.4)
3.1399128
Log P
3.1399128
Molar Refractivity
84.7766
Polarizability
32.516212
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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