Molecule

ID:35510

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-12-5-3-4-10-16(12)14-8-6-13(7-9-14)11-15-2/h6-9,12,15H,3-5,10-11H2,1-2H3
InChIKey
GVLPZFULNVJERP-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)N1CCCCC1C
Isomeric Smiles
N1(c2ccc(cc2)CNC)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.41881964
LogD (pH = 7.4)
0.55549353
Log P
2.9065797
Molar Refractivity
70.2954
Polarizability
27.04018
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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