Molecule

ID:41482

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₅
Molecular Mass
288.25548
Exact Mass
288.07462149
Charge
0
InChI
InChI=1S/C14H12N2O5/c1-2-20-13-7-10(9-17)3-5-12(13)21-14-6-4-11(8-15-14)16(18)19/h3-9H,2H2,1H3
InChIKey
LVOWSEBXGGZZCK-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1Oc1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1(cnc(Oc2c(cc(C=O)cc2)OCC)cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.7019413
LogD (pH = 7.4)
2.7019413
Log P
2.7019413
Molar Refractivity
75.5759
Polarizability
27.949865
Polar Surface Area
94.24
Rotatable Bonds
6
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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