Molecule

ID:112324

General Information

Structure

MolImage

Molecular Formula

C₉H₂₀

Molecular Mass

128.2551

Exact Mass

128.15650064

Charge

0

InChI

InChI=1S/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3

InChIKey

HQZHQNKZOYIKQC-UHFFFAOYSA-N

Canonic Smiles

CCC(CCC(C)C)C

Isomeric Smiles

CCC(C)CCC(C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

4.149745

LogD (pH = 7.4)

4.149745

Log P

4.149745

Molar Refractivity

43.1064

Polarizability

17.36981

Polar Surface Area

0.0

Rotatable Bonds

4

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