Molecule

ID:68002

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c1-4-2-5(7)6(8)9-3-4/h2-3H,7H2,1H3,(H2,8,9)
InChIKey
AITFREYTVOPXOT-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)N)N
Isomeric Smiles
c1(c(cc(cn1)C)N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2249123
LogD (pH = 7.4)
-0.308381
Log P
0.2056004
Molar Refractivity
38.6566
Polarizability
13.472676
Polar Surface Area
64.93
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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