Molecule
ID:58314
General Information
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c1-9-4-7-8-6(9)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
CKCJRMRHECHTNX-UHFFFAOYSA-N
Canonic Smiles
Cn1cnnc1C1CC1
Isomeric Smiles
n1ncn(c1C1CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.020073077
LogD (pH = 7.4)
0.020851221
Log P
0.020861153
Molar Refractivity
35.9656
Polarizability
12.753033
Polar Surface Area
30.71
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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