Molecule

ID:71006

General Information

Structure

MolImage

Molecular Formula

C₃H₇ClN₂O

Molecular Mass

122.55348

Exact Mass

122.02469053

Charge

0

InChI

InChI=1S/C3H6N2O.ClH/c6-3-1-4-2-5-3;/h4H,1-2H2,(H,5,6);1H

InChIKey

DCQHTUPOWLBQSF-UHFFFAOYSA-N

Canonic Smiles

C1NCNC1=O.Cl

Isomeric Smiles

C1NC(=O)CN1.Cl

Calculated Properties

JChem

Acid pKa

12.144566

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-1.5401601

LogD (pH = 7.4)

-1.3624102

Log P

-1.3595858

Molar Refractivity

20.3374

Polarizability

8.301951

Polar Surface Area

41.13

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