Molecule

ID:13369

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-16-11-8-14(9-12-16)15-10-7-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKey
ULQCWUQXLLZVEI-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NCCc1ccccc1
Isomeric Smiles
c1cccc(c1)CCNC1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3245277
LogD (pH = 7.4)
-1.3060144
Log P
1.847062
Molar Refractivity
69.5121
Polarizability
27.369165
Polar Surface Area
15.27
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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