Molecule

ID:43881

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃
Molecular Mass
147.17716
Exact Mass
147.0796473
Charge
0
InChI
InChI=1S/C8H9N3/c1-11(2)8-7(6-9)4-3-5-10-8/h3-5H,1-2H3
InChIKey
AGKVQTZVCHITEU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccnc1N(C)C
Isomeric Smiles
c1ccnc(c1C#N)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3130863
LogD (pH = 7.4)
1.3141572
Log P
1.314171
Molar Refractivity
44.3648
Polarizability
16.082796
Polar Surface Area
39.92
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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