Molecule

ID:110287

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₀NiO₄

Molecular Mass

300.9202

Exact Mass

299.9932517

Charge

0

InChI

InChI=1S/2C7H6O2.Ni/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2

InChIKey

GAIQJSWQJOZOMI-UHFFFAOYSA-L

Canonic Smiles

[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1.[Ni+2]

Isomeric Smiles

[Ni+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1

Calculated Properties

JChem

Acid pKa

4.0752335

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.19342963

LogD (pH = 7.4)

-1.4835135

Log P

1.6308287

Molar Refractivity

44.1513

Polarizability

12.569108

Polar Surface Area

40.13

Rotatable Bonds

2

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