Molecule

ID:79839

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₅N₅O₆
Molecular Mass
479.4852
Exact Mass
479.18048355
Charge
0
InChI
InChI=1S/C24H25N5O6/c30-27(31)16-7-8-18-19(13-16)23(20-14-17(28(32)33)15-21(22(18)20)29(34)35)24(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h7-8,13-15H,1-6,9-12H2
InChIKey
NRQLGAYYWWYLGZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1)C(=C(N1CCCCC1)N1CCCCC1)c1c2c(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(cc2c1c1ccc(cc1C2=C(N1CCCCC1)N1CCCCC1)[N+](=O)[O-])[N+](=O)[O-])[O-]
Calculated Properties
JChem
H Acceptors
8
H Donor
0
LogD (pH = 5.5)
3.3561342
LogD (pH = 7.4)
5.007696
Log P
5.382375
Molar Refractivity
151.3431
Polarizability
48.907894
Polar Surface Area
143.94
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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