Molecule

ID:33559

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-12-5-7-13(8-6-12)14(11-15)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11,15H2,1H3
InChIKey
RXHOQWINKPWMFD-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)C)N1CCCCC1
Isomeric Smiles
N1(C(c2ccc(cc2)C)CN)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8975616
LogD (pH = 7.4)
0.4075943
Log P
2.5412133
Molar Refractivity
69.4039
Polarizability
27.36523
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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