Molecule

ID:127824

General Information

Structure

MolImage

Molecular Formula

C₈H₁₅N

Molecular Mass

125.2114

Exact Mass

125.12044949

Charge

0

InChI

InChI=1S/C8H15N/c1-2-6-9-7-3-5-8(9)4-1/h8H,1-7H2

InChIKey

HAJKHJOABGFIGP-UHFFFAOYSA-N

Canonic Smiles

C1CCC2N(C1)CCC2

Isomeric Smiles

N12CCCC1CCCC2

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

-1.9932929

LogD (pH = 7.4)

-1.8596324

Log P

1.5061002

Molar Refractivity

39.3413

Polarizability

15.551486

Polar Surface Area

3.24

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity