Molecule

ID:64081

General Information

Structure

MolImage

Molecular Formula

C₄H₁₀N₄

Molecular Mass

114.149

Exact Mass

114.09054634

Charge

0

InChI

InChI=1S/C4H10N4/c5-3-1-2-4-7-8-6/h1-5H2

InChIKey

LFMZGBHJJNIRKH-UHFFFAOYSA-N

Canonic Smiles

NCCCCN=[N+]=[N-]

Isomeric Smiles

NCCCCN=[N+]=[N-]

Calculated Properties

JChem

Acid pKa

4.697396

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-3.0385094

LogD (pH = 7.4)

-2.6353936

Log P

-2.841022

Molar Refractivity

32.0136

Polarizability

11.89608

Polar Surface Area

55.45

Rotatable Bonds

4

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