Molecule

ID:68038

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-5,11H,6-9,13H2,1H3
InChIKey
BNYVBWBKNDWCQW-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)c1ccc(cc1)N
Isomeric Smiles
Nc1ccc(cc1)C1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7134185
LogD (pH = 7.4)
-0.22042519
Log P
1.6324327
Molar Refractivity
61.4741
Polarizability
23.27011
Polar Surface Area
29.26
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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