Molecule

ID:55837

General Information

Structure

Molecular Formula

C₇H₁₆ClN

Molecular Mass

149.66164

Exact Mass

149.0971272

Charge

0

InChI

InChI=1S/C7H15N.ClH/c1-2-7-3-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H

InChIKey

YDEDPBSOZYZWTH-UHFFFAOYSA-N

Canonic Smiles

CCC1CCNCC1.Cl

Isomeric Smiles

C1NCCC(C1)CC.Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.8425134

LogD (pH = 7.4)

-1.3862062

Log P

1.3890754

Molar Refractivity

35.985

Polarizability

14.445701

Polar Surface Area

12.03

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