Molecule

ID:76074

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₉N

Molecular Mass

153.26456

Exact Mass

153.15174961

Charge

0

InChI

InChI=1S/C10H19N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h9-11H,1-8H2

InChIKey

KRDXTHSSNCTAGY-UHFFFAOYSA-N

Canonic Smiles

C1CCC(CC1)C1CCCN1

Isomeric Smiles

N1C(C2CCCCC2)CCC1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.8545263

LogD (pH = 7.4)

-0.815149

Log P

2.3869693

Molar Refractivity

47.6496

Polarizability

19.244478

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