Molecule

ID:69366

General Information
Structure
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Molecular Formula
C₂H₈N₂O
Molecular Mass
76.09772
Exact Mass
76.06366289
Charge
0
InChI
InChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2
InChIKey
GBHCABUWWQUMAJ-UHFFFAOYSA-N
Canonic Smiles
NNCCO
Isomeric Smiles
C(CNN)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.16
LogD (pH = 5.5)
-3.87
Log P
-1.50
Rotatable Bonds
2
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
7.95
Polar Surface Area
58.28
Polarizability
8.01
Molar Refractivity
31.19
LOG S
0.91
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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