Molecule

ID:82185

General Information

Structure

MolImage

Molecular Formula

C₈H₁₀N₂O

Molecular Mass

150.1778

Exact Mass

150.07931295

Charge

0

InChI

InChI=1S/C8H10N2O/c1-6(10-11)7-2-4-8(9)5-3-7/h2-5,11H,9H2,1H3

InChIKey

ZIBZGXFVQGQEBO-UHFFFAOYSA-N

Canonic Smiles

O/N=C(/c1ccc(cc1)N)\C

Isomeric Smiles

N(=C(\c1ccc(cc1)N)/C)/O

Calculated Properties

JChem

Acid pKa

9.883441

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

0.7062056

LogD (pH = 7.4)

0.7099345

Log P

0.7114472

Molar Refractivity

44.9829

Polarizability

16.553617

Polar Surface Area

58.61

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