Molecule

ID:68537

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c1-7-4-6-5-8-2-3-9-6/h2-3,5,7H,4H2,1H3
InChIKey
LPLXKLMQYQPDPA-UHFFFAOYSA-N
Canonic Smiles
CNCc1cnccn1
Isomeric Smiles
N(Cc1cnccn1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3070374
LogD (pH = 7.4)
-1.5726497
Log P
-0.8222783
Molar Refractivity
34.47
Polarizability
13.738947
Polar Surface Area
37.81
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
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Molecule Details
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References
Bioactivity
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