Molecule

ID:5876

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂N₂O₃
Molecular Mass
292.28878
Exact Mass
292.08479225
Charge
0
InChI
InChI=1S/C17H12N2O3/c20-16-10-9-15(11-5-1-2-6-12(11)16)19-18-14-8-4-3-7-13(14)17(21)22/h1-10,20H,(H,21,22)/b19-18+
InChIKey
SXAUIPSOPPASFY-VHEBQXMUSA-N
Canonic Smiles
OC(=O)c1ccccc1/N=N/c1ccc(c2c1cccc2)O
Isomeric Smiles
c1(c(cccc1)C(=O)O)/N=N/c1ccc(c2ccccc12)O
Calculated Properties
JChem
Acid pKa
3.3571026
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.5926194
LogD (pH = 7.4)
1.2244599
Log P
4.722634
Molar Refractivity
86.0643
Polarizability
32.00114
Polar Surface Area
82.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.69
LOG S
-4.37
Solubility (Water)
1.25e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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