Molecule

ID:126339

General Information

Structure

MolImage

Molecular Formula

C₄H₂CaO₄

Molecular Mass

154.13428

Exact Mass

153.95789952

Charge

0

InChI

InChI=1S/C4H4O4.Ca/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1-;

InChIKey

HDRTWMBOUSPQON-ODZAUARKSA-L

Canonic Smiles

O=C1O[Ca]OC(=O)C=C1

Isomeric Smiles

O=C1O[Ca]OC(=O)C=C1

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.235

LogD (pH = 7.4)

-0.235

Log P

-0.235

Molar Refractivity

22.7518

Polarizability

11.617057

Polar Surface Area

52.6

Rotatable Bonds

0

Lipinski's Rule of Five

true

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