Molecule

ID:128817

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁N₃O₃
Molecular Mass
293.27684
Exact Mass
293.08004123
Charge
0
InChI
InChI=1S/C16H11N3O3/c20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22/h1-10,20H/b18-17+
InChIKey
WOTPFVNWMLFMFW-ISLYRVAYSA-N
Canonic Smiles
Oc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2
Isomeric Smiles
O=[N+]([O-])c1ccc(cc1)/N=N/c1c2ccccc2ccc1O
Calculated Properties
JChem
Acid pKa
11.335164
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
5.0050344
LogD (pH = 7.4)
5.004985
Log P
5.005035
Molar Refractivity
85.1286
Polarizability
31.526375
Polar Surface Area
88.09
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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