Molecule

ID:111722

General Information

Structure

MolImage

Molecular Formula

C₁₂H₂₄

Molecular Mass

168.31896

Exact Mass

168.18780077

Charge

0

InChI

InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3

InChIKey

NBUMCEJRJRRLCA-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.6312785

LogD (pH = 7.4)

4.6312785

Log P

4.6312785

Molar Refractivity

57.4552

Polarizability

22.682592

Polar Surface Area

0.0

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

References

Bioactivity