Molecule

ID:88819

General Information
Structure
MolImage
Molecular Formula
C₃H₈N₂O
Molecular Mass
88.10842
Exact Mass
88.06366289
Charge
0
InChI
InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
InChIKey
RYECOJGRJDOGPP-UHFFFAOYSA-N
Canonic Smiles
CCNC(=O)N
Isomeric Smiles
NC(=O)NCC
Calculated Properties
JChem
Acid pKa
15.74978
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.7833499
LogD (pH = 7.4)
-0.7833499
Log P
-0.7833498
Molar Refractivity
22.7879
Polarizability
8.642821
Polar Surface Area
55.12
Rotatable Bonds
1
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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