Molecule

ID:90285

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂O
Molecular Mass
112.12982
Exact Mass
112.06366289
Charge
0
InChI
InChI=1S/C5H8N2O/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3
InChIKey
IATYYKPVJFWQTA-UHFFFAOYSA-N
Canonic Smiles
CNCc1cnco1
Isomeric Smiles
o1c(cnc1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0471709
LogD (pH = 7.4)
-1.3138509
Log P
-0.60651284
Molar Refractivity
29.8929
Polarizability
11.525042
Polar Surface Area
38.06
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
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References
Bioactivity
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