Molecule

ID:116484

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃O₂
Molecular Mass
143.14386
Exact Mass
143.06947654
Charge
0
InChI
InChI=1S/C5H9N3O2/c6-8-5(10)3-1-4(9)7-2-3/h3H,1-2,6H2,(H,7,9)(H,8,10)
InChIKey
YBFBICBMBQEKSM-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CNC(=O)C1
Isomeric Smiles
C1(C(=O)NN)CC(=O)NC1
Calculated Properties
JChem
Acid pKa
12.532727
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-2.3056297
LogD (pH = 7.4)
-2.3043945
Log P
-2.3043756
Molar Refractivity
34.6501
Polarizability
13.165571
Polar Surface Area
84.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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