Molecule

ID:41193

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃O
Molecular Mass
141.17104
Exact Mass
141.09021199
Charge
0
InChI
InChI=1S/C6H11N3O/c7-3-1-2-5-4-8-9-6(5)10/h4-5H,1-3,7H2,(H,9,10)
InChIKey
LMLXMJPJCSUFAB-UHFFFAOYSA-N
Canonic Smiles
NCCCC1C=NNC1=O
Isomeric Smiles
C1(=O)NN=CC1CCCN
Calculated Properties
JChem
Acid pKa
11.824759
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.9698029
LogD (pH = 7.4)
-3.3472533
Log P
-1.041626
Molar Refractivity
37.7044
Polarizability
14.536377
Polar Surface Area
67.48
Rotatable Bonds
3
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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