Molecule

ID:26843

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3
InChIKey
HOBCRUDGINOFNV-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CN1CCNCC1)C
Isomeric Smiles
N1(Cc2ccc(cc2)C(C)C)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.63354874
LogD (pH = 7.4)
0.7172712
Log P
2.6237233
Molar Refractivity
69.5469
Polarizability
27.364162
Polar Surface Area
15.27
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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