Molecule

ID:33331

General Information

Structure

Molecular Formula

C₇H₁₀N₂O₂

Molecular Mass

154.1665

Exact Mass

154.07422757

Charge

0

InChI

InChI=1S/C7H10N2O2/c1-11-7(10)3-6-9-5-2-4-8-9/h2,4-5H,3,6H2,1H3

InChIKey

XZZAAQDMPMDOPJ-UHFFFAOYSA-N

Canonic Smiles

COC(=O)CCn1cccn1

Isomeric Smiles

n1(nccc1)CCC(=O)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.2618612

LogD (pH = 7.4)

0.26199427

Log P

0.26199597

Molar Refractivity

50.5145

Polarizability

15.3056965

Polar Surface Area

44.12

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