Molecule

ID:13160

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-11-4-5-14(12(2)10-11)13(3)16-8-6-15-7-9-16/h4-5,10,13,15H,6-9H2,1-3H3
InChIKey
ASFKAOFDNOMVHD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)C(N1CCNCC1)C
Isomeric Smiles
C1NCCN(C1)C(c1c(cc(cc1)C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5921206
LogD (pH = 7.4)
0.7577138
Log P
2.822132
Molar Refractivity
69.8573
Polarizability
27.284477
Polar Surface Area
15.27
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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