Molecule

ID:111612

General Information

Structure

MolImage

Molecular Formula

C₂H₄O₂Zr

Molecular Mass

151.27596

Exact Mass

149.92583337

Charge

0

InChI

InChI=1S/C2H4O2.Zr/c1-2(3)4;/h1H3,(H,3,4);

InChIKey

BNUDRLITYNMTPD-UHFFFAOYSA-N

Canonic Smiles

CC(=O)O.[Zr]

Isomeric Smiles

[Zr].CC(=O)O

Calculated Properties

JChem

Acid pKa

4.54344

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.2242727

LogD (pH = 7.4)

-2.9968748

Log P

-0.22334571

Molar Refractivity

12.6437

Polarizability

5.030792

Polar Surface Area

37.3

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