Molecule

ID:78032

General Information
Structure
MolImage
Molecular Formula
C₃H₈N₂O₂
Molecular Mass
104.10782
Exact Mass
104.05857751
Charge
0
InChI
InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)
InChIKey
CLAHOZSYMRNIPY-UHFFFAOYSA-N
Canonic Smiles
NC(=O)NCCO
Isomeric Smiles
N(C(=O)N)CCO
Calculated Properties
JChem
Acid pKa
15.053198
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-1.8302598
LogD (pH = 7.4)
-1.8302598
Log P
-1.8302598
Molar Refractivity
24.3316
Polarizability
9.338311
Polar Surface Area
75.35
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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