Molecule

ID:58758

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂
Molecular Mass
134.1784
Exact Mass
134.08439833
Charge
0
InChI
InChI=1S/C8H10N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4,9H2
InChIKey
UMXPKGQJQAQXLU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)NCC2
Isomeric Smiles
c1(ccc2c(c1)NCC2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.42308325
LogD (pH = 7.4)
0.65311843
Log P
0.6569865
Molar Refractivity
44.2618
Polarizability
15.487385
Polar Surface Area
38.05
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
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References
Bioactivity
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