Molecule

ID:92963

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃O₂
Molecular Mass
143.14386
Exact Mass
143.06947654
Charge
0
InChI
InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)
InChIKey
AMHZIUVRYRVYBA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCNC1=N
Isomeric Smiles
N1CCN(C1=N)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.3714743
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.760783
LogD (pH = 7.4)
-2.7581584
Log P
-2.758171
Molar Refractivity
44.8183
Polarizability
12.861022
Polar Surface Area
76.42
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
References
Bioactivity
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