Molecule

ID:24801

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂
Molecular Mass
134.1784
Exact Mass
134.08439833
Charge
0
InChI
InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9-10H,5-6H2
InChIKey
HORKYAIEVBUXGM-UHFFFAOYSA-N
Canonic Smiles
C1CNc2c(N1)cccc2
Isomeric Smiles
N1c2c(NCC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.62855655
LogD (pH = 7.4)
0.7455602
Log P
0.74727714
Molar Refractivity
44.4766
Polarizability
15.568122
Polar Surface Area
24.06
Rotatable Bonds
0
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
References
Bioactivity
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