Molecule

ID:80384

General Information

Structure

MolImage

Molecular Formula

C₉H₁₆O

Molecular Mass

140.22274

Exact Mass

140.12011513

Charge

0

InChI

InChI=1S/C9H16O/c1-8-2-5-9(10,6-3-8)7-4-8/h10H,2-7H2,1H3

InChIKey

JWGWSFMJBKXMGZ-UHFFFAOYSA-N

Canonic Smiles

CC12CCC(CC1)(CC2)O

Isomeric Smiles

OC12CCC(CC1)(C)CC2

Calculated Properties

JChem

Acid pKa

19.32689

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.7625641

LogD (pH = 7.4)

1.7625642

Log P

1.7625642

Molar Refractivity

41.0582

Polarizability

16.468021

Polar Surface Area

20.23

Rotatable Bonds

0

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