Molecule

ID:61776

General Information

Structure

MolImage

Molecular Formula

C₄H₈O₂

Molecular Mass

88.10512

Exact Mass

88.0524295

Charge

0

InChI

InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3

InChIKey

DHDPUVPGALXWOL-UHFFFAOYSA-N

Canonic Smiles

CC1(O)COC1

Isomeric Smiles

O1CC(C1)(O)C

Calculated Properties

JChem

Acid pKa

13.814947

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.3967338

LogD (pH = 7.4)

-0.39673394

Log P

-0.3967338

Molar Refractivity

21.6442

Polarizability

8.717666

Polar Surface Area

29.46

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity