Molecule

ID:3436

General Information

Structure

MolImage

Molecular Formula

C₅H₉N₂+

Molecular Mass

97.13836

Exact Mass

97.0765733

Charge

1

InChI

InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3/p+1

InChIKey

GIWQSPITLQVMSG-UHFFFAOYSA-O

Canonic Smiles

Cn1cc[nH+]c1C

Isomeric Smiles

Cn1cc[nH+]c1C

Calculated Properties

JChem

H Acceptors

0

H Donor

1

LogD (pH = 5.5)

-0.8147935

LogD (pH = 7.4)

-0.05449615

Log P

0.20151658

Molar Refractivity

39.1624

Polarizability

10.906074

Polar Surface Area

19.07

Rotatable Bonds

0

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-1.41

LOG S

-1.82

Solubility (Water)

1.99e+00 g/l

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

References

Bioactivity