Molecule

ID:108262

General Information
Structure
MolImage
Molecular Formula
C₃H₈N₂O₃
Molecular Mass
120.10722
Exact Mass
120.05349213
Charge
0
InChI
InChI=1S/C3H8N2O3/c6-1-4-3(8)5-2-7/h6-7H,1-2H2,(H2,4,5,8)
InChIKey
QUBQYFYWUJJAAK-UHFFFAOYSA-N
Canonic Smiles
OCNC(=O)NCO
Isomeric Smiles
OCNC(=O)NCO
Calculated Properties
JChem
Acid pKa
13.32887
H Acceptors
3
H Donor
4
LogD (pH = 5.5)
-2.076484
LogD (pH = 7.4)
-2.0764844
Log P
-2.076484
Molar Refractivity
25.1396
Polarizability
10.055241
Polar Surface Area
81.59
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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