Molecule

ID:10219

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14/h1-3,5-6,13H,4,7-11H2
InChIKey
JTJTYCPQUOROFM-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(CCNCCC1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.602495
LogD (pH = 7.4)
-1.4710302
Log P
1.438674
Molar Refractivity
60.2215
Polarizability
23.75333
Polar Surface Area
15.27
Rotatable Bonds
2
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
References
Bioactivity
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