Molecule

ID:145

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₂O₂
Molecular Mass
102.09194
Exact Mass
102.04292744
Charge
0
InChI
InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)
InChIKey
DYDCUQKUCUHJBH-UHFFFAOYSA-N
Canonic Smiles
NC1CONC1=O
Isomeric Smiles
O1NC(=O)C(N)C1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.42
LogD (pH = 5.5)
-2.44
Log P
-2.42
Rotatable Bonds
0
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.21
Polar Surface Area
64.35
Polarizability
8.87
Molar Refractivity
21.85
LOG S
0.02
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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