Molecule

ID:46110

General Information

Structure

Molecular Formula

C₇H₁₃NO₃

Molecular Mass

159.18302

Exact Mass

159.08954328

Charge

0

InChI

InChI=1S/C7H13NO3/c1-10-7(9)2-3-11-6-4-8-5-6/h6,8H,2-5H2,1H3

InChIKey

PTFGUNZEOFOCIJ-UHFFFAOYSA-N

Canonic Smiles

COC(=O)CCOC1CNC1

Isomeric Smiles

N1CC(OCCC(=O)OC)C1

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-3.4460251

LogD (pH = 7.4)

-1.8736871

Log P

-0.49072176

Molar Refractivity

38.9912

Polarizability

15.927211

Polar Surface Area

47.56

Rotatable Bonds

5

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