Molecule

ID:79159

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3,(H2,7,8)
InChIKey
GZZRWBRYYZGTNW-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(n1)C)N
Isomeric Smiles
n1c(c(ncc1C)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.43418354
LogD (pH = 7.4)
-0.4338316
Log P
-0.43382713
Molar Refractivity
35.9411
Polarizability
13.206235
Polar Surface Area
51.8
Rotatable Bonds
0
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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