Molecule

ID:24826

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
InChIKey
PCNDXYHWLSHXMV-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCC(CC1)Cc1ccccc1
Isomeric Smiles
N1(CCC(Cc2ccccc2)CC1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5000794
LogD (pH = 7.4)
-0.22231884
Log P
2.1089435
Molar Refractivity
69.3245
Polarizability
27.369827
Polar Surface Area
29.26
Rotatable Bonds
4
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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