Molecule

ID:109390

General Information

Structure

MolImage

Molecular Formula

C₁₀H₂₀N₆

Molecular Mass

224.306

Exact Mass

224.17494467

Charge

0

InChI

InChI=1S/C2H8N2.4C2H3N/c3-1-2-4;4*1-2-3/h1-4H2;4*1H3

InChIKey

JSWRBUUAZTXECF-UHFFFAOYSA-N

Canonic Smiles

NCCN.CC#N.CC#N.CC#N.CC#N

Isomeric Smiles

CC#N.CC#N.CC#N.CC#N.NCCN

Calculated Properties

JChem

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-5.91292

LogD (pH = 7.4)

-3.7797713

Log P

-1.4224427

Molar Refractivity

17.8686

Polarizability

7.4730473

Polar Surface Area

52.04

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity