Molecule

ID:35608

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c13-7-3-8-14-9-6-11-4-1-2-5-12(11)10-14/h1-2,4-5H,3,6-10,13H2
InChIKey
OZWGXKVQFUBMTE-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCc2c(C1)cccc2
Isomeric Smiles
N1(Cc2c(CC1)cccc2)CCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.183295
LogD (pH = 7.4)
-2.000637
Log P
1.217507
Molar Refractivity
60.7255
Polarizability
23.670322
Polar Surface Area
29.26
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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