Molecule

ID:24843

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂
Molecular Mass
134.1784
Exact Mass
134.08439833
Charge
0
InChI
InChI=1S/C8H10N2/c1-2-5-10-8-3-6-9-7-4-8/h2-4,6-7H,1,5H2,(H,9,10)
InChIKey
CCLRSSSZOXOMEF-UHFFFAOYSA-N
Canonic Smiles
C=CCNc1ccncc1
Isomeric Smiles
n1ccc(NCC=C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.023832392
LogD (pH = 7.4)
0.09814398
Log P
0.95960134
Molar Refractivity
43.2576
Polarizability
15.861076
Polar Surface Area
24.92
Rotatable Bonds
3
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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