Molecule

ID:15850

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀Cl₂N₂
Molecular Mass
299.2387
Exact Mass
298.10035401
Charge
0
InChI
InChI=1S/C15H18N2.2ClH/c1-13-6-5-9-15(17-13)12-16-11-10-14-7-3-2-4-8-14;;/h2-9,16H,10-12H2,1H3;2*1H
InChIKey
KONAUBHLCDDYTF-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)CNCCc1ccccc1.Cl.Cl
Isomeric Smiles
C(NCCc1ccccc1)c1cccc(C)n1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.37915745
LogD (pH = 7.4)
1.2258182
Log P
2.5398986
Molar Refractivity
70.586
Polarizability
27.822372
Polar Surface Area
24.92
Rotatable Bonds
5
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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