Molecule

ID:21003

General Information

Structure

MolImage

Molecular Formula

C₈H₁₅NO

Molecular Mass

141.2108

Exact Mass

141.11536411

Charge

0

InChI

InChI=1S/C8H15NO/c1-2-7(1)6-10-8-3-4-9-5-8/h7-9H,1-6H2

InChIKey

KUKDIWYMSLUVLQ-UHFFFAOYSA-N

Canonic Smiles

C1NCC(C1)OCC1CC1

Isomeric Smiles

C1C(CNC1)OCC1CC1

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.745245

LogD (pH = 7.4)

-2.3643067

Log P

0.48892516

Molar Refractivity

40.2455

Polarizability

16.22448

Polar Surface Area

21.26

Rotatable Bonds

3

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