Molecule

ID:61733

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂
Molecular Mass
214.30612
Exact Mass
214.14699859
Charge
0
InChI
InChI=1S/C14H18N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-5,13H,6-8,10-12H2
InChIKey
ZKOHFVJCKMHYSL-UHFFFAOYSA-N
Canonic Smiles
N#CCC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N#CCC1CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0107964
LogD (pH = 7.4)
0.53661937
Log P
2.2343035
Molar Refractivity
66.537
Polarizability
25.726566
Polar Surface Area
27.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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