Molecule

ID:70638

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₈

Molecular Mass

138.24992

Exact Mass

138.14085058

Charge

0

InChI

InChI=1S/C10H18/c1-10(2,3)9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3

InChIKey

PJTMQLHFQYFBBB-UHFFFAOYSA-N

Canonic Smiles

CC(C1CCC=CC1)(C)C

Isomeric Smiles

C1=CCC(CC1)C(C)(C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.6241443

LogD (pH = 7.4)

3.6241443

Log P

3.6241443

Molar Refractivity

46.8959

Polarizability

18.241005

Polar Surface Area

0.0

Rotatable Bonds

1

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