Molecule

ID:67154

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c1-3-9-4-2-8-6(9)5-7-1/h2,4,7H,1,3,5H2
InChIKey
SWBUHQQTIPEPMK-UHFFFAOYSA-N
Canonic Smiles
N1CCn2c(C1)ncc2
Isomeric Smiles
c12CNCCn1ccn2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9415866
LogD (pH = 7.4)
-0.6277206
Log P
-0.4615578
Molar Refractivity
34.5155
Polarizability
13.379874
Polar Surface Area
29.85
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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