Molecule

ID:107849

General Information

Structure

MolImage

Molecular Formula

C₇H₁₀O₂

Molecular Mass

126.1531

Exact Mass

126.06807956

Charge

0

InChI

InChI=1S/C7H10O2/c1-4-7(8)9-5-6(2)3/h4H,1-2,5H2,3H3

InChIKey

HVVPYFQMCGANJX-UHFFFAOYSA-N

Canonic Smiles

C=CC(=O)OCC(=C)C

Isomeric Smiles

CC(=C)COC(=O)C=C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.8867857

LogD (pH = 7.4)

1.8867857

Log P

1.8867857

Molar Refractivity

35.5052

Polarizability

13.9035225

Polar Surface Area

26.3

Rotatable Bonds

4

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