Molecule

ID:128377

General Information

Structure

MolImage

Molecular Formula

C₈H₁₀O

Molecular Mass

122.1644

Exact Mass

122.07316494

Charge

0

InChI

InChI=1S/C8H10O/c1-5-4-6(2)8(9)7(5)3/h2,4H2,1,3H3

InChIKey

YDXIEAHUYZKJOH-UHFFFAOYSA-N

Canonic Smiles

CC1=C(C)C(=O)C(=C)C1

Isomeric Smiles

O=C1C(=C)CC(=C1C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.1316686

LogD (pH = 7.4)

2.1316686

Log P

2.1316686

Molar Refractivity

37.7567

Polarizability

14.332296

Polar Surface Area

17.07

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity