Molecule

ID:60438

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,10H,2,9H2,1H3
InChIKey
FRPAGJPHUNNVLJ-UHFFFAOYSA-N
Canonic Smiles
CCNc1ccccc1N
Isomeric Smiles
c1(c(N)cccc1)NCC
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.8136645
LogD (pH = 7.4)
0.971471
Log P
0.9739059
Molar Refractivity
45.7008
Polarizability
16.30619
Polar Surface Area
38.05
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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