Molecule

ID:42989

General Information

Structure

Molecular Formula

C₈H₁₀O₂

Molecular Mass

138.1638

Exact Mass

138.06807956

Charge

0

InChI

InChI=1S/C8H10O2/c1-9-7-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey

DDAHODSRFCRULG-UHFFFAOYSA-N

Canonic Smiles

COCOc1ccccc1

Isomeric Smiles

C(Oc1ccccc1)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.8787

LogD (pH = 7.4)

1.8787

Log P

1.8787

Molar Refractivity

38.3742

Polarizability

15.375845

Polar Surface Area

18.46

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity