Molecule

ID:58240

General Information

Structure

MolImage

Molecular Formula

C₃H₈N₂O₂

Molecular Mass

104.10782

Exact Mass

104.05857751

Charge

0

InChI

InChI=1S/C3H8N2O2/c1-5(4)3(6)7-2/h4H2,1-2H3

InChIKey

HPCAWBCCCGEMIU-UHFFFAOYSA-N

Canonic Smiles

COC(=O)N(N)C

Isomeric Smiles

COC(=O)N(N)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.48566562

LogD (pH = 7.4)

-0.4838204

Log P

-0.4837968

Molar Refractivity

25.4703

Polarizability

9.667854

Polar Surface Area

55.56

Rotatable Bonds

1

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