Molecule

ID:69075

General Information

Structure

MolImage

Molecular Formula

C₉H₁₀O

Molecular Mass

134.1751

Exact Mass

134.07316494

Charge

0

InChI

InChI=1S/C9H10O/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2

InChIKey

DPHNJPUOMLRELT-UHFFFAOYSA-N

Canonic Smiles

Oc1cccc2c1CCC2

Isomeric Smiles

C1CCc2c(cccc12)O

Calculated Properties

JChem

Acid pKa

10.377511

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.6773603

LogD (pH = 7.4)

2.6769114

Log P

2.677366

Molar Refractivity

40.9201

Polarizability

15.578412

Polar Surface Area

20.23

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity