Molecule

ID:48229

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂
Molecular Mass
289.24388
Exact Mass
288.11600407
Charge
0
InChI
InChI=1S/C14H20N2.2ClH/c1-2-5-13-10-16(9-7-12(13)4-1)11-14-6-3-8-15-14;;/h1-2,4-5,14-15H,3,6-11H2;2*1H
InChIKey
LXVLMVQZRQJTCH-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)CN1CCc2c(C1)cccc2.Cl.Cl
Isomeric Smiles
N1(Cc2c(CC1)cccc2)CC1NCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2919674
LogD (pH = 7.4)
-1.0665448
Log P
2.0556922
Molar Refractivity
67.8459
Polarizability
26.621525
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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