Molecule

ID:58909

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c1-7-3-2-4-8(10-7)5-6-9/h2-4H,5-6,9H2,1H3
InChIKey
CDTHKXWPZVCHBX-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)CCN
Isomeric Smiles
c1c(nc(cc1)CCN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7288566
LogD (pH = 7.4)
-1.8193576
Log P
0.3311966
Molar Refractivity
41.1432
Polarizability
16.341263
Polar Surface Area
38.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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