Molecule

ID:120488

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₆
Molecular Mass
284.26524
Exact Mass
284.10083624
Charge
0
InChI
InChI=1S/C12H16N2O6/c1-7(2)19-11-5-9(13(15)16)10(14(17)18)6-12(11)20-8(3)4/h5-8H,1-4H3
InChIKey
ZBBIUMBWEGITOV-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cc([N+](=O)[O-])c(cc1OC(C)C)[N+](=O)[O-])C
Isomeric Smiles
c1(c([N+](=O)[O-])cc(c(c1)OC(C)C)OC(C)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
3.0846376
LogD (pH = 7.4)
3.0846376
Log P
3.0846376
Molar Refractivity
71.9686
Polarizability
26.612118
Polar Surface Area
110.1
Rotatable Bonds
6
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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