Molecule

ID:19100

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-12-7-9-16(10-8-12)14(11-15)13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3
InChIKey
XQTFEFRXFNJBQW-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)N1CCC(CC1)C
Isomeric Smiles
N1(C(c2ccccc2)CN)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2336752
LogD (pH = 7.4)
0.028248344
Log P
2.314811
Molar Refractivity
68.9113
Polarizability
27.446627
Polar Surface Area
29.26
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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