Molecule

ID:24804

General Information

Structure

MolImage

Molecular Formula

C₆H₁₄ClN

Molecular Mass

135.63506

Exact Mass

135.08147713

Charge

0

InChI

InChI=1S/C6H13N.ClH/c1-6(2)3-4-7-5-6;/h7H,3-5H2,1-2H3;1H

InChIKey

PVDSQZKZYULVPR-UHFFFAOYSA-N

Canonic Smiles

CC1(C)CNCC1.Cl

Isomeric Smiles

C1C(CNC1)(C)C.Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-2.2849655

LogD (pH = 7.4)

-2.2022493

Log P

0.9558927

Molar Refractivity

31.1041

Polarizability

12.598926

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