Molecule

ID:69535

General Information

Structure

MolImage

Molecular Formula

C₈H₂₀ClN

Molecular Mass

165.7041

Exact Mass

165.12842733

Charge

0

InChI

InChI=1S/C8H19N.ClH/c1-3-5-7-9-8-6-4-2;/h9H,3-8H2,1-2H3;1H

InChIKey

ODYNBECIRXXOGG-UHFFFAOYSA-N

Canonic Smiles

CCCCNCCCC.Cl

Isomeric Smiles

N(CCCC)CCCC.Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.78286564

LogD (pH = 7.4)

-0.5371046

Log P

2.4549196

Molar Refractivity

42.4406

Polarizability

17.036163

Polar Surface Area

12.03

Rotatable Bonds

6

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