Molecule

ID:24217

General Information

Structure

MolImage

Molecular Formula

C₅H₁₄ClNO

Molecular Mass

139.62376

Exact Mass

139.07639175

Charge

0

InChI

InChI=1S/C5H13NO.ClH/c1-3-7-5(2)4-6;/h5H,3-4,6H2,1-2H3;1H

InChIKey

AZBRERYHQCIIAD-UHFFFAOYSA-N

Canonic Smiles

CCOC(CN)C.Cl

Isomeric Smiles

C(OCC)(CN)C.Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.8868506

LogD (pH = 7.4)

-1.9468647

Log P

0.1009486

Molar Refractivity

30.1297

Polarizability

12.157154

Polar Surface Area

35.25

Rotatable Bonds

3

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