Molecule

ID:124396

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6,9H2,1H3
InChIKey
HBLPYXIZPMDWIO-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1)N
Isomeric Smiles
c1c(N)cccc1CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.5130284
LogD (pH = 7.4)
-1.6037388
Log P
0.70266867
Molar Refractivity
44.0064
Polarizability
16.70336
Polar Surface Area
38.05
Rotatable Bonds
2
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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