Molecule

ID:66325

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₅
Molecular Mass
290.27136
Exact Mass
290.09027156
Charge
0
InChI
InChI=1S/C14H14N2O5/c1-14(2,3)21-13(18)15-7-9(8-17)11-6-10(16(19)20)4-5-12(11)15/h4-8H,1-3H3
InChIKey
CGVAPQUBCFFZMC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cc(cc2)[N+](=O)[O-])C(=O)OC(C)(C)C
Isomeric Smiles
n1(cc(c2cc(ccc12)[N+](=O)[O-])C=O)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7175543
LogD (pH = 7.4)
2.7175543
Log P
2.7175543
Molar Refractivity
74.7485
Polarizability
29.28228
Polar Surface Area
91.44
Rotatable Bonds
4
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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