Molecule

ID:23637

General Information

Structure

MolImage

Molecular Formula

C₉H₁₂N₂O

Molecular Mass

164.20438

Exact Mass

164.09496301

Charge

0

InChI

InChI=1S/C9H12N2O/c1-11(2)9(12)7-4-3-5-8(10)6-7/h3-6H,10H2,1-2H3

InChIKey

LZPLRAXAVPPVSX-UHFFFAOYSA-N

Canonic Smiles

Nc1cccc(c1)C(=O)N(C)C

Isomeric Smiles

C(=O)(c1cc(N)ccc1)N(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

0.4397645

LogD (pH = 7.4)

0.4422801

Log P

0.4423123

Molar Refractivity

49.6302

Polarizability

17.980896

Polar Surface Area

46.33

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