Molecule

ID:61471

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c1-2-9-6-8-4-3-5-10-7-8/h3-5,7,9H,2,6H2,1H3
InChIKey
SGROJTFSHJVVSF-UHFFFAOYSA-N
Canonic Smiles
CCNCc1cccnc1
Isomeric Smiles
n1cc(CNCC)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4680274
LogD (pH = 7.4)
-1.2206017
Log P
0.6707302
Molar Refractivity
41.8977
Polarizability
16.4967
Polar Surface Area
24.92
Rotatable Bonds
3
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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