Molecule

ID:81817

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃
Molecular Mass
147.17716
Exact Mass
147.0796473
Charge
0
InChI
InChI=1S/C8H9N3/c1-11-4-2-3-8(11)7(5-9)6-10/h2-4H2,1H3
InChIKey
HUEUYVGJQVFHCR-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C1CCCN1C)C#N
Isomeric Smiles
N1(C(=C(C#N)C#N)CCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.27876648
LogD (pH = 7.4)
0.27878505
Log P
0.2787853
Molar Refractivity
43.6403
Polarizability
15.323374
Polar Surface Area
50.82
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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