Molecule

ID:130303

General Information

Structure

MolImage

Molecular Formula

C₁₁H₁₄N₂O₂

Molecular Mass

206.24106

Exact Mass

206.1055277

Charge

0

InChI

InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)

InChIKey

AJOQSQHYDOFIOX-UHFFFAOYSA-N

Canonic Smiles

CCC(c1ccccc1)C(=O)NC(=O)N

Isomeric Smiles

O=C(N)NC(=O)C(c1ccccc1)CC

Calculated Properties

JChem

Acid pKa

11.713573

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

1.446669

LogD (pH = 7.4)

1.4466484

Log P

1.4466692

Molar Refractivity

56.6059

Polarizability

21.954899

Polar Surface Area

72.19

Rotatable Bonds

3

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity