Molecule

ID:20347

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂Cl₂N₂O₂
Molecular Mass
309.23198
Exact Mass
308.10583331
Charge
0
InChI
InChI=1S/C13H20N2O2.2ClH/c1-11-10-12(14)2-3-13(11)17-9-6-15-4-7-16-8-5-15;;/h2-3,10H,4-9,14H2,1H3;2*1H
InChIKey
CANRTHGLZHBCPP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)OCCN1CCOCC1.Cl.Cl
Isomeric Smiles
N1(CCOc2c(cc(N)cc2)C)CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.062788375
LogD (pH = 7.4)
1.2161176
Log P
1.300214
Molar Refractivity
69.3564
Polarizability
26.447332
Polar Surface Area
47.72
Rotatable Bonds
4
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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