Molecule

ID:110779

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄NiO₄
Molecular Mass
256.90916
Exact Mass
256.02455183
Charge
0
InChI
InChI=1S/2C5H7O2.Ni/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2
InChIKey
JBIMTYQVAYCSRC-UHFFFAOYSA-N
Canonic Smiles
CC1=[O][Ni+2]2([O]=C([CH-]1)C)[O]=C(C)[CH-]C(=[O]2)C
Isomeric Smiles
CC1=[O][Ni+2]2([O]=C(C)[CH-]1)[O]=C(C)[CH-]C(=[O]2)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
96.4072
Polar Surface Area
136.56
Rotatable Bonds
0
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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