Molecule

ID:31341

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-11-7-9-16(10-8-11)14-5-3-13(4-6-14)12(2)15/h3-6,11-12H,7-10,15H2,1-2H3
InChIKey
TWSCIOBPDLQSBM-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1ccc(cc1)C(N)C
Isomeric Smiles
N1(c2ccc(cc2)C(N)C)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.39290488
LogD (pH = 7.4)
0.4096445
Log P
2.7610183
Molar Refractivity
70.0694
Polarizability
27.039898
Polar Surface Area
29.26
Rotatable Bonds
2
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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