Molecule

ID:57555

General Information

Structure

MolImage

Molecular Formula

C₄H₁₁NO

Molecular Mass

89.13624

Exact Mass

89.08406398

Charge

0

InChI

InChI=1S/C4H11NO/c1-4(6)3-5-2/h4-6H,3H2,1-2H3

InChIKey

AEKHFLDILSDXBL-UHFFFAOYSA-N

Canonic Smiles

CNCC(O)C

Isomeric Smiles

C(CNC)(C)O

Calculated Properties

JChem

Acid pKa

15.29722

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-3.6809645

LogD (pH = 7.4)

-2.918146

Log P

-0.46640545

Molar Refractivity

25.4045

Polarizability

10.242338

Polar Surface Area

32.26

Rotatable Bonds

2

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