Molecule

ID:127355

General Information

Structure

MolImage

Molecular Formula

C₂H₂O

Molecular Mass

42.03668

Exact Mass

42.01056468

Charge

0

InChI

InChI=1S/C2H2O/c1-2-3/h1,3H

InChIKey

QFXZANXYUCUTQH-UHFFFAOYSA-N

Canonic Smiles

OC#C

Isomeric Smiles

OC#C

Calculated Properties

JChem

Acid pKa

3.8307042

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.9345876

LogD (pH = 7.4)

-3.1983383

Log P

-0.2744

Molar Refractivity

9.5476

Polarizability

3.955072

Polar Surface Area

20.23

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