Molecule

ID:61786

General Information

Structure

MolImage

Molecular Formula

C₇H₁₃NO

Molecular Mass

127.18422

Exact Mass

127.09971404

Charge

0

InChI

InChI=1S/C7H13NO/c1-2-4-8-7(3-1)5-9-6-7/h8H,1-6H2

InChIKey

FNTBEHJVXDDFRG-UHFFFAOYSA-N

Canonic Smiles

C1CCC2(NC1)COC2

Isomeric Smiles

C1OCC21NCCCC2

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.4175081

LogD (pH = 7.4)

-0.76162493

Log P

0.422523

Molar Refractivity

35.4697

Polarizability

14.382755

Polar Surface Area

21.26

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