Molecule

ID:10946

General Information

Structure

MolImage

Molecular Formula

C₆H₁₄N₄

Molecular Mass

142.20216

Exact Mass

142.12184647

Charge

0

InChI

InChI=1S/C6H14N4/c1-2-8-6-5(7-1)9-3-4-10-6/h5-10H,1-4H2

InChIKey

HQJLFRMMLKYIJX-UHFFFAOYSA-N

Canonic Smiles

C1CNC2C(N1)NCCN2

Isomeric Smiles

C12C(NCCN1)NCCN2

Calculated Properties

JChem

H Acceptors

4

H Donor

4

LogD (pH = 5.5)

-1.7953612

LogD (pH = 7.4)

-1.0060487

Log P

-0.9773825

Molar Refractivity

38.4038

Polarizability

16.431282

Polar Surface Area

48.12

Rotatable Bonds

0

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