Molecule

ID:52932

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₂N₂

Molecular Mass

160.21568

Exact Mass

160.10004839

Charge

0

InChI

InChI=1S/C10H12N2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6H,12H2,1-2H3

InChIKey

OOSCSCBYFWCCDC-UHFFFAOYSA-N

Canonic Smiles

N#Cc1ccc(cc1)C(N)(C)C

Isomeric Smiles

c1(ccc(cc1)C(C)(N)C)C#N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.3612742

LogD (pH = 7.4)

-0.7133026

Log P

1.6522621

Molar Refractivity

49.31

Polarizability

19.230682

Polar Surface Area

49.81

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