Molecule

ID:45972

General Information

Structure

Molecular Formula

C₈H₁₅NO

Molecular Mass

141.2108

Exact Mass

141.11536411

Charge

0

InChI

InChI=1S/C8H15NO/c1-2-3-4-5-10-8-6-9-7-8/h2,8-9H,1,3-7H2

InChIKey

QXELKRQMWCAPHS-UHFFFAOYSA-N

Canonic Smiles

C=CCCCOC1CNC1

Isomeric Smiles

N1CC(C1)OCCCC=C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.8424475

LogD (pH = 7.4)

-0.2701211

Log P

1.1128678

Molar Refractivity

41.9568

Polarizability

16.717077

Polar Surface Area

21.26

Rotatable Bonds

5

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