Molecule

ID:58640

General Information

Structure

Molecular Formula

C₇H₁₄N₂O₂

Molecular Mass

158.19826

Exact Mass

158.1055277

Charge

0

InChI

InChI=1S/C7H14N2O2/c1-7(6(10)9-8)4-2-3-5-11-7/h2-5,8H2,1H3,(H,9,10)

InChIKey

XOECOZDNFPORSW-UHFFFAOYSA-N

Canonic Smiles

NNC(=O)C1(C)CCCCO1

Isomeric Smiles

C1COC(CC1)(C(=O)NN)C

Calculated Properties

JChem

Acid pKa

12.551044

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-0.007980582

LogD (pH = 7.4)

-0.0058276863

Log P

-0.005797258

Molar Refractivity

42.004

Polarizability

16.254215

Polar Surface Area

64.35

Rotatable Bonds

1

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