Molecule

ID:67902

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,4,7H2,(H2,8,9)
InChIKey
YKQKTLFFQSDTGM-UHFFFAOYSA-N
Canonic Smiles
NCc1ccnc(c1)N
Isomeric Smiles
Nc1cc(ccn1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4121325
LogD (pH = 7.4)
-2.3188848
Log P
-0.3531266
Molar Refractivity
37.3884
Polarizability
13.932478
Polar Surface Area
64.93
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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