Molecule

ID:80122

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀N₄O₈
Molecular Mass
386.2726
Exact Mass
386.0498633
Charge
0
InChI
InChI=1S/C16H10N4O8/c1-17(2)16(22)11-5-7(18(23)24)3-9-13(11)14-10(15(9)21)4-8(19(25)26)6-12(14)20(27)28/h3-6H,1-2H3
InChIKey
GZECYQNUKHHYPA-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1cc(cc2c1c1c(cc(cc1C2=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C
Isomeric Smiles
[N+](=O)(c1c2c(cc(c1)[N+](=O)[O-])C(=O)c1c2c(cc(c1)[N+](=O)[O-])C(=O)N(C)C)[O-]
Calculated Properties
JChem
Acid pKa
18.470901
H Acceptors
8
H Donor
0
LogD (pH = 5.5)
2.2245233
LogD (pH = 7.4)
2.2245233
Log P
2.2245233
Molar Refractivity
96.5576
Polarizability
34.94128
Polar Surface Area
174.84
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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