Molecule

ID:63254

General Information

Structure

MolImage

Molecular Formula

C₅H₁₁NO

Molecular Mass

101.14694

Exact Mass

101.08406398

Charge

0

InChI

InChI=1S/C5H11NO/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m0/s1

InChIKey

BWRWNUQAQPAYCK-YFKPBYRVSA-N

Canonic Smiles

CO[C@@H]1CNCC1

Isomeric Smiles

N1CC[C@@H](C1)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-3.5258338

LogD (pH = 7.4)

-3.1452615

Log P

-0.2916521

Molar Refractivity

28.3035

Polarizability

11.428371

Polar Surface Area

21.26

Rotatable Bonds

1

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