Molecule

ID:58593

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃
Molecular Mass
121.13988
Exact Mass
121.06399724
Charge
0
InChI
InChI=1S/C6H7N3/c1-2-9-4-3-6(5-7)8-9/h3-4H,2H2,1H3
InChIKey
HUECRBCJOIYWSB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccn(n1)CC
Isomeric Smiles
n1c(ccn1CC)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9998591
LogD (pH = 7.4)
0.99986035
Log P
0.99986035
Molar Refractivity
45.0596
Polarizability
12.583265
Polar Surface Area
41.61
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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