Molecule

ID:64395

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,2,7H2,1H3
InChIKey
MPBCUCGKHDEUDD-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(cn1)CN
Isomeric Smiles
n1c(cnc(c1)C)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7218037
LogD (pH = 7.4)
-2.068387
Log P
-1.1234885
Molar Refractivity
34.2869
Polarizability
13.662583
Polar Surface Area
51.8
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
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References
Bioactivity
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