Molecule

ID:57285

General Information

Structure

MolImage

Molecular Formula

C₈H₁₄ClNO

Molecular Mass

175.65586

Exact Mass

175.07639175

Charge

0

InChI

InChI=1S/C8H14ClNO/c9-7-8(11)10-5-3-1-2-4-6-10/h1-7H2

InChIKey

OUYNYRUBFQVLEE-UHFFFAOYSA-N

Canonic Smiles

ClCC(=O)N1CCCCCC1

Isomeric Smiles

N1(C(=O)CCl)CCCCCC1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.2493424

LogD (pH = 7.4)

1.2493424

Log P

1.2493424

Molar Refractivity

45.7555

Polarizability

17.796095

Polar Surface Area

20.31

Rotatable Bonds

1

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