Molecule

ID:44746

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₅
Molecular Mass
266.24996
Exact Mass
266.09027156
Charge
0
InChI
InChI=1S/C12H14N2O5/c1-18-12(15)10-8-9(2-3-11(10)14(16)17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3
InChIKey
YQDJPZPKFJXQMS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(ccc1[N+](=O)[O-])N1CCOCC1
Isomeric Smiles
C1COCCN1c1ccc(c(c1)C(=O)OC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.8062503
LogD (pH = 7.4)
1.8062503
Log P
1.8062503
Molar Refractivity
68.9111
Polarizability
25.201342
Polar Surface Area
84.59
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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