Molecule

ID:107255

General Information

Structure

MolImage

Molecular Formula

C₈H₁₆

Molecular Mass

112.21264

Exact Mass

112.12520051

Charge

0

InChI

InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3

InChIKey

JPLZSSHKQZJYTJ-UHFFFAOYSA-N

Canonic Smiles

CC/C=C/C(C)(C)C

Isomeric Smiles

CC/C=C/C(C)(C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.3562825

LogD (pH = 7.4)

3.3562825

Log P

3.3562825

Molar Refractivity

39.5485

Polarizability

15.295921

Polar Surface Area

0.0

Rotatable Bonds

2

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