Molecule

ID:57475

General Information

Structure

MolImage

Molecular Formula

C₈H₁₃N

Molecular Mass

123.19552

Exact Mass

123.10479942

Charge

0

InChI

InChI=1S/C8H13N/c1-2-4-8-6-9-5-7(8)3-1/h1-2,7-9H,3-6H2

InChIKey

HWZHYUCYEYJQTE-UHFFFAOYSA-N

Canonic Smiles

N1CC2C(C1)CC=CC2

Isomeric Smiles

C1=CCC2C(C1)CNC2

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-2.2350838

LogD (pH = 7.4)

-2.1916244

Log P

1.0063545

Molar Refractivity

39.694

Polarizability

15.31781

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