Molecule

ID:18090

General Information

Structure

MolImage

Molecular Formula

C₈H₁₅NO

Molecular Mass

141.2108

Exact Mass

141.11536411

Charge

0

InChI

InChI=1S/C8H15NO/c1-2-5-9-7-10-6-4-8(9)3-1/h8H,1-7H2

InChIKey

QNXMMEGQRQOPEF-UHFFFAOYSA-N

Canonic Smiles

C1CCC2N(C1)COCC2

Isomeric Smiles

O1CN2C(CC1)CCCC2

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.82093966

LogD (pH = 7.4)

0.762175

Log P

1.051863

Molar Refractivity

40.5497

Polarizability

16.22448

Polar Surface Area

12.47

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