Molecule

ID:83744

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₄O₈
Molecular Mass
372.3306
Exact Mass
372.12811362
Charge
0
InChI
InChI=1S/C14H20N4O8/c1-6(19)16-11-13(25-9(4)22)12(24-8(3)21)10(5-23-7(2)20)26-14(11)17-18-15/h10-14H,5H2,1-4H3,(H,16,19)/t10-,11+,12-,13-,14+/m1/s1
InChIKey
RMCFMPMNMQZHSF-ITGHMWBKSA-N
Canonic Smiles
[N-]=[N+]=N[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@@H]1NC(=O)C)OC(=O)C)OC(=O)C
Isomeric Smiles
O1[C@@H]([C@H]([C@H]([C@@H]([C@H]1COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)N=[N+]=[N-]
Calculated Properties
JChem
Acid pKa
4.5037894
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
-1.1791104
LogD (pH = 7.4)
-1.1907394
Log P
-1.0768538
Molar Refractivity
80.7717
Polarizability
32.65959
Polar Surface Area
146.66
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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