Molecule

ID:41443

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₅
Molecular Mass
288.25548
Exact Mass
288.07462149
Charge
0
InChI
InChI=1S/C14H12N2O5/c1-20-14(17)9-2-4-10(5-3-9)21-11-6-7-13(16(18)19)12(15)8-11/h2-8H,15H2,1H3
InChIKey
QGZAYLJMNHOFQK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)Oc1ccc(c(c1)N)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1)Oc1cc(c(cc1)[N+](=O)[O-])N)C(=O)OC
Calculated Properties
JChem
Acid pKa
14.808471
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.238068
LogD (pH = 7.4)
3.238068
Log P
3.238068
Molar Refractivity
76.3492
Polarizability
28.138166
Polar Surface Area
107.37
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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