Molecule

ID:68827

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c1-5-3-2-4-6(8-5)9-7/h2-4H,7H2,1H3,(H,8,9)
InChIKey
RDVGWJKUYXVTSO-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(n1)C
Isomeric Smiles
c1(cccc(n1)C)NN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.074823
LogD (pH = 7.4)
-0.65940684
Log P
0.8730437
Molar Refractivity
38.5128
Polarizability
13.755786
Polar Surface Area
50.94
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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