Molecule

ID:33368

General Information

Structure

Molecular Formula

C₅H₁₃NO

Molecular Mass

103.16282

Exact Mass

103.09971404

Charge

0

InChI

InChI=1S/C5H13NO/c1-5(6-2)3-4-7/h5-7H,3-4H2,1-2H3

InChIKey

HNNZBZKURNBXOO-UHFFFAOYSA-N

Canonic Smiles

CC(NC)CCO

Isomeric Smiles

N(C(CCO)C)C

Calculated Properties

JChem

Acid pKa

15.925054

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-3.629461

LogD (pH = 7.4)

-2.9908097

Log P

-0.4064457

Molar Refractivity

30.2699

Polarizability

12.084012

Polar Surface Area

32.26

Rotatable Bonds

3

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