Molecule

ID:46291

General Information
Structure
Molecular Formula
C₁₆H₂₀Cl₂N₂O
Molecular Mass
327.2488
Exact Mass
326.09526863
Charge
0
InChI
InChI=1S/C16H19ClN2O.ClH/c17-14-3-4-15(16-13(14)2-1-8-19-16)20-11-7-12-5-9-18-10-6-12;/h1-4,8,12,18H,5-7,9-11H2;1H
InChIKey
XUYAUOFKPYXBHU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1cccn2)OCCC1CCNCC1.Cl
Isomeric Smiles
c12c(nccc2)c(ccc1Cl)OCCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.18348658
LogD (pH = 7.4)
0.2730501
Log P
3.0482478
Molar Refractivity
80.8997
Polarizability
33.19194
Polar Surface Area
34.15
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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