Molecule

ID:55303

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂
Molecular Mass
289.24388
Exact Mass
288.11600407
Charge
0
InChI
InChI=1S/C14H20N2.2ClH/c15-13-5-7-16(8-6-13)14-9-11-3-1-2-4-12(11)10-14;;/h1-4,13-14H,5-10,15H2;2*1H
InChIKey
OALYLWFYVCGNHT-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C1Cc2c(C1)cccc2.Cl.Cl
Isomeric Smiles
c1ccc2c(c1)CC(C2)N1CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.9309223
LogD (pH = 7.4)
-1.897831
Log P
1.5141371
Molar Refractivity
67.7173
Polarizability
26.543253
Polar Surface Area
29.26
Rotatable Bonds
1
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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