Molecule

ID:136713

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆N₂O₂Zn
Molecular Mass
381.73324
Exact Mass
380.05031976
Charge
0
InChI
InChI=1S/2C10H9NO.Zn/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2*2-6,12H,1H3;/q;;+2/p-2
InChIKey
ZTPMNXZOPFKOIV-UHFFFAOYSA-L
Canonic Smiles
Cc1ccc2c(n1)c([O-])ccc2.Cc1ccc2c(n1)c([O-])ccc2.[Zn+2]
Isomeric Smiles
Cc1ccc2cccc(c2n1)[O-].[O-]c1cccc2c1nc(cc2)C.[Zn+2]
Calculated Properties
JChem
Acid pKa
9.375134
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6988455
LogD (pH = 7.4)
1.9469893
Log P
1.9587053
Molar Refractivity
57.102
Polarizability
19.088238
Polar Surface Area
35.95
Rotatable Bonds
0
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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