Molecule

ID:24828

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c15-11-14-7-4-9-16(12-14)10-8-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,15H2
InChIKey
UWOLTVQMHDWUBB-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCN(C1)CCc1ccccc1
Isomeric Smiles
N1(CC(CN)CCC1)CCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7109182
LogD (pH = 7.4)
-1.570445
Log P
1.9166391
Molar Refractivity
69.4567
Polarizability
27.36915
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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