Molecule

ID:21353

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)11-6-10(7-13-11)19-9-4-2-3-8(5-9)14(16)17/h2-5,10-11,13H,6-7H2,1H3/t10-,11-/m0/s1
InChIKey
QTQDTXVGRHIRAP-QWRGUYRKSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(O[C@H]2C[C@H](NC2)C(=O)OC)ccc1)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.13643157
LogD (pH = 7.4)
1.1237441
Log P
1.1751908
Molar Refractivity
65.7359
Polarizability
25.573744
Polar Surface Area
93.38
Rotatable Bonds
5
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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