Molecule

ID:57193

General Information
Structure
Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c1-6-4-3-5-10-8(6)7(2)9/h3-5,7H,9H2,1-2H3
InChIKey
PWLIYNAODUMYSS-UHFFFAOYSA-N
Canonic Smiles
CC(c1ncccc1C)N
Isomeric Smiles
c1cnc(c(c1)C)C(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7926104
LogD (pH = 7.4)
-0.33879527
Log P
1.0449994
Molar Refractivity
41.3874
Polarizability
16.417835
Polar Surface Area
38.91
Rotatable Bonds
1
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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