Molecule

ID:101899

General Information
Structure
Molecular Formula
C₁₉H₂₃Cl₂N₃
Molecular Mass
364.31202
Exact Mass
363.12690311
Charge
0
InChI
InChI=1S/C19H21N3.2ClH/c1-2-5-16(6-3-1)15-21-11-13-22(14-12-21)19-8-4-7-18-17(19)9-10-20-18;;/h1-10,20H,11-15H2;2*1H
InChIKey
DQDHEUNJHGVKDQ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCN(CC1)c1cccc2c1cc[nH]2.Cl.Cl
Isomeric Smiles
c12c(N3CCN(Cc4ccccc4)CC3)cccc1[nH]cc2.Cl.Cl
Calculated Properties
JChem
Acid pKa
17.640545
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0855244
LogD (pH = 7.4)
2.8593664
Log P
3.7516444
Molar Refractivity
92.2358
Polarizability
36.38662
Polar Surface Area
22.27
Rotatable Bonds
3
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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