Molecule

ID:57525

General Information

Structure

MolImage

Molecular Formula

C₆H₁₂ClNO

Molecular Mass

149.61858

Exact Mass

149.06074169

Charge

0

InChI

InChI=1S/C6H12ClNO/c1-8(2)6(9)4-3-5-7/h3-5H2,1-2H3

InChIKey

FYVXMHXMWHEEHI-UHFFFAOYSA-N

Canonic Smiles

ClCCCC(=O)N(C)C

Isomeric Smiles

C(=O)(N(C)C)CCCCl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

0.48008117

LogD (pH = 7.4)

0.48008156

Log P

0.48008156

Molar Refractivity

38.4669

Polarizability

14.848101

Polar Surface Area

20.31

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