Molecule

ID:24979

General Information

Structure

Molecular Formula

C₇H₁₃NO₂

Molecular Mass

143.18362

Exact Mass

143.09462866

Charge

0

InChI

InChI=1S/C7H13NO2/c1-10-7(9)3-6-8-4-2-5-8/h2-6H2,1H3

InChIKey

RDELIYPIRSMXOH-UHFFFAOYSA-N

Canonic Smiles

COC(=O)CCN1CCC1

Isomeric Smiles

N1(CCC(=O)OC)CCC1

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-2.7704139

LogD (pH = 7.4)

-0.9982067

Log P

-0.06050564

Molar Refractivity

38.4376

Polarizability

15.197755

Polar Surface Area

29.54

Rotatable Bonds

4

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