Molecule

ID:73062

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁N₂NaO₂
Molecular Mass
274.24981
Exact Mass
274.07182188
Charge
0
InChI
InChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1
InChIKey
FJPYVLNWWICYDW-UHFFFAOYSA-M
Canonic Smiles
[Na]OC1=NC(=O)C(N1)(c1ccccc1)c1ccccc1
Isomeric Smiles
N1C(C(=O)N=C1O[Na])(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.7595
LogD (pH = 7.4)
3.7595
Log P
3.7595
Molar Refractivity
69.2896
Polarizability
28.979593
Polar Surface Area
50.69
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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