Molecule

ID:48174

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂Cl₂N₂
Molecular Mass
289.24388
Exact Mass
288.11600407
Charge
0
InChI
InChI=1S/C14H20N2.2ClH/c1-2-6-14-13(4-1)5-3-9-16(14)11-12-7-8-15-10-12;;/h1-2,4,6,12,15H,3,5,7-11H2;2*1H
InChIKey
YXLUIDOTARBPDR-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)CN1CCCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CCC1)cccc2)CC1CNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0158094
LogD (pH = 7.4)
-0.8470066
Log P
2.267094
Molar Refractivity
68.6718
Polarizability
26.223131
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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