Molecule

ID:70273

General Information

Structure

MolImage

Molecular Formula

C₅H₁₁NO

Molecular Mass

101.14694

Exact Mass

101.08406398

Charge

0

InChI

InChI=1S/C5H11NO/c6-4-2-1-3-5(4)7/h4-5,7H,1-3,6H2

InChIKey

JFFOUICIRBXFRC-UHFFFAOYSA-N

Canonic Smiles

OC1CCCC1N

Isomeric Smiles

C1(C(CCC1)N)O

Calculated Properties

JChem

Acid pKa

14.611689

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-3.3597982

LogD (pH = 7.4)

-2.722022

Log P

-0.3456606

Molar Refractivity

27.6935

Polarizability

11.356206

Polar Surface Area

46.25

Rotatable Bonds

0

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