Molecule

ID:89260

General Information

Structure

MolImage

Molecular Formula

C₈H₁₅N

Molecular Mass

125.2114

Exact Mass

125.12044949

Charge

0

InChI

InChI=1S/C8H15N/c1-2-4-8-7(3-1)5-6-9-8/h7-9H,1-6H2

InChIKey

PDELQDSYLBLPQO-UHFFFAOYSA-N

Canonic Smiles

C1CCC2C(C1)NCC2

Isomeric Smiles

N1CCC2C1CCCC2

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.7435774

LogD (pH = 7.4)

-1.6980721

Log P

1.4978321

Molar Refractivity

38.4476

Polarizability

15.551486

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