Molecule

ID:71349

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃N₃O₆
Molecular Mass
365.38102
Exact Mass
365.15868547
Charge
0
InChI
InChI=1S/C17H23N3O6/c1-17(2,3)26-16(22)19-9-7-18(8-10-19)14-6-5-12(20(23)24)11-13(14)15(21)25-4/h5-6,11H,7-10H2,1-4H3
InChIKey
WXDHETYREQPFEV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(ccc1N1CCN(CC1)C(=O)OC(C)(C)C)[N+](=O)[O-]
Isomeric Smiles
c1(c(N2CCN(C(=O)OC(C)(C)C)CC2)ccc([N+](=O)[O-])c1)C(=O)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.7720156
LogD (pH = 7.4)
2.7720156
Log P
2.7720156
Molar Refractivity
95.5871
Polarizability
35.619606
Polar Surface Area
104.9
Rotatable Bonds
6
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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