Molecule

ID:89420

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₉
Molecular Mass
373.31536
Exact Mass
373.1121292
Charge
0
InChI
InChI=1S/C14H19N3O9/c1-6(18)22-5-10-11(23-7(2)19)12(24-8(3)20)13(25-9(4)21)14(26-10)16-17-15/h10-14H,5H2,1-4H3/t10-,11-,12-,13+,14+/m1/s1
InChIKey
NHNYHKRWHCWHAJ-POQQGIQPSA-N
Canonic Smiles
[N-]=[N+]=N[C@H]1O[C@H](COC(=O)C)[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Isomeric Smiles
O1[C@@H]([C@H]([C@H]([C@@H]([C@H]1N=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C
Calculated Properties
JChem
Acid pKa
4.498334
H Acceptors
7
H Donor
0
LogD (pH = 5.5)
-0.45008144
LogD (pH = 7.4)
-0.4615755
Log P
-0.34769315
Molar Refractivity
78.8219
Polarizability
32.2624
Polar Surface Area
143.86
Rotatable Bonds
10
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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