Molecule

ID:89728

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂O₂
Molecular Mass
102.09194
Exact Mass
102.04292744
Charge
0
InChI
InChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)
InChIKey
WRIRWRKPLXCTFD-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CC(=O)N
Isomeric Smiles
O=C(N)CC(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-1.95
LogD (pH = 5.5)
-1.95
Log P
-1.95
Rotatable Bonds
2
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
13.30
Polar Surface Area
86.18
Polarizability
9.01
Molar Refractivity
22.63
LOG S
0.38
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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