Molecule

ID:90290

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂O
Molecular Mass
112.12982
Exact Mass
112.06366289
Charge
0
InChI
InChI=1S/C5H8N2O/c1-4-7-5(2-6)3-8-4/h3H,2,6H2,1H3
InChIKey
ZFKWYIYSYDLCCG-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(co1)CN
Isomeric Smiles
o1cc(nc1C)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2331195
LogD (pH = 7.4)
-1.5474619
Log P
-0.7545577
Molar Refractivity
29.1593
Polarizability
11.451516
Polar Surface Area
52.05
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
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Molecule Details
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References
Bioactivity
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