Molecule

ID:63222

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃
Molecular Mass
123.15576
Exact Mass
123.0796473
Charge
0
InChI
InChI=1S/C6H9N3/c1-5-2-3-6(4-7)9-8-5/h2-3H,4,7H2,1H3
InChIKey
VEVZZZIAWSOTML-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(nn1)CN
Isomeric Smiles
NCc1ccc(C)nn1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5186093
LogD (pH = 7.4)
-1.8803083
Log P
-0.8855861
Molar Refractivity
36.3071
Polarizability
13.670689
Polar Surface Area
51.8
Rotatable Bonds
1
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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