Molecule

ID:50483

General Information

Structure

MolImage

Molecular Formula

C₇H₁₄O₃

Molecular Mass

146.18426

Exact Mass

146.09429431

Charge

0

InChI

InChI=1S/C7H14O3/c8-3-5-9-6-7-2-1-4-10-7/h7-8H,1-6H2

InChIKey

CTPDSKVQLSDPLC-UHFFFAOYSA-N

Canonic Smiles

OCCOCC1CCCO1

Isomeric Smiles

O1C(COCCO)CCC1

Calculated Properties

JChem

Acid pKa

15.121135

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-0.14696355

LogD (pH = 7.4)

-0.14696355

Log P

-0.14696355

Molar Refractivity

37.5595

Polarizability

14.936832

Polar Surface Area

38.69

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity