Molecule

ID:110295

General Information

Structure

MolImage

Molecular Formula

C₅H₁₁N

Molecular Mass

85.14754

Exact Mass

85.08914936

Charge

0

InChI

InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3

InChIKey

GBCKRQRXNXQQPW-UHFFFAOYSA-N

Canonic Smiles

C=CCN(C)C

Isomeric Smiles

CN(C)CC=C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

-2.302409

LogD (pH = 7.4)

-0.7315492

Log P

0.92141926

Molar Refractivity

29.1508

Polarizability

11.2655945

Polar Surface Area

3.24

Rotatable Bonds

2

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