Molecule

ID:24596

General Information

Structure

Molecular Formula

C₇H₁₆ClN

Molecular Mass

149.66164

Exact Mass

149.0971272

Charge

0

InChI

InChI=1S/C7H15N.ClH/c1-7(2)3-5-8-6-4-7;/h8H,3-6H2,1-2H3;1H

InChIKey

HQQCRVHZMQHQOA-UHFFFAOYSA-N

Canonic Smiles

CC1(C)CCNCC1.Cl

Isomeric Smiles

N1CCC(CC1)(C)C.Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.9864352

LogD (pH = 7.4)

-1.5144051

Log P

1.2445539

Molar Refractivity

35.8591

Polarizability

14.445701

Polar Surface Area

12.03

Rotatable Bonds

0

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