Molecule

ID:108992

General Information

Structure

MolImage

Molecular Formula

C₇H₁₄O

Molecular Mass

114.18546

Exact Mass

114.10446507

Charge

0

InChI

InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3

InChIKey

SDZQUCJFTUULJX-UHFFFAOYSA-N

Canonic Smiles

CCC/C=C/CCO

Isomeric Smiles

CCC/C=C/CCO

Calculated Properties

JChem

Acid pKa

16.79179

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.7771063

LogD (pH = 7.4)

1.7771063

Log P

1.7771063

Molar Refractivity

37.0545

Polarizability

14.010049

Polar Surface Area

20.23

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