Molecule

ID:109258

General Information
Structure
MolImage
Molecular Formula
C₄H₉N₃O
Molecular Mass
115.13376
Exact Mass
115.07456192
Charge
0
InChI
InChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChIKey
HQDAJGNZGNZGCO-UHFFFAOYSA-N
Canonic Smiles
NC(=O)NN=C(C)C
Isomeric Smiles
CC(=NNC(=O)N)C
Calculated Properties
JChem
Acid pKa
11.925027
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.80421096
LogD (pH = 7.4)
-0.804067
Log P
-0.8040536
Molar Refractivity
29.7945
Polarizability
11.2208605
Polar Surface Area
67.48
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
No Data Available
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Molecule Details
References
Bioactivity
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