Molecule

ID:103708

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClN₃O
Molecular Mass
359.89294
Exact Mass
359.17644015
Charge
0
InChI
InChI=1S/C20H26N3O.ClH/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;/h9-14H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKey
IURGIPVDZKDLIX-UHFFFAOYSA-M
Canonic Smiles
CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC.[Cl-]
Isomeric Smiles
[Cl-].CCN(CC)c1cc2[o+]c3c(ccc(c3)N(CC)CC)nc2cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.212529
LogD (pH = 7.4)
5.2126393
Log P
5.212641
Molar Refractivity
101.5647
Polarizability
40.0903
Polar Surface Area
32.51
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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