Molecule

ID:55946

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c1-5-4-6(2)10-7(3)8(5)9/h4H,9H2,1-3H3
InChIKey
MHUDSAALSISURX-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(n1)C)N
Isomeric Smiles
n1c(c(c(cc1C)C)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0475572
LogD (pH = 7.4)
0.21116954
Log P
0.70280915
Molar Refractivity
42.8257
Polarizability
15.865413
Polar Surface Area
38.91
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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