Molecule

ID:48231

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂
Molecular Mass
289.24388
Exact Mass
288.11600407
Charge
0
InChI
InChI=1S/C14H20N2.2ClH/c1-2-8-14-12(5-1)6-4-10-16(14)11-13-7-3-9-15-13;;/h1-2,5,8,13,15H,3-4,6-7,9-11H2;2*1H
InChIKey
XQPBYLVHLBIJFI-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)CN1CCCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CCC1)cccc2)CC1NCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5699036
LogD (pH = 7.4)
-0.2638069
Log P
2.666908
Molar Refractivity
68.3328
Polarizability
26.223076
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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