Molecule

ID:84643

General Information

Structure

Molecular Formula

C₇H₁₀N₂

Molecular Mass

122.1677

Exact Mass

122.08439833

Charge

0

InChI

InChI=1S/C7H10N2/c1-9(2)7-4-3-5-8-6-7/h3-6H,1-2H3

InChIKey

JEDHEXUPBRMUMB-UHFFFAOYSA-N

Canonic Smiles

CN(c1cccnc1)C

Isomeric Smiles

N(c1cccnc1)(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.56312674

LogD (pH = 7.4)

0.8575073

Log P

0.86361724

Molar Refractivity

38.3297

Polarizability

14.25599

Polar Surface Area

16.13

Rotatable Bonds

1

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

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References

Bioactivity