Molecule

ID:34223

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈Cl₃N₃
Molecular Mass
404.80472
Exact Mass
403.13488095
Charge
0
InChI
InChI=1S/C19H25N3.3ClH/c1-2-5-18(6-3-1)16-22-11-8-17(9-12-22)13-21-15-19-7-4-10-20-14-19;;;/h1-7,10,14,17,21H,8-9,11-13,15-16H2;3*1H
InChIKey
MYJYBJTVGVQNKZ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CN1CCC(CC1)CNCc1cccnc1.Cl.Cl.Cl
Isomeric Smiles
N1(CCC(CC1)CNCc1cccnc1)Cc1ccccc1.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.0105925
LogD (pH = 7.4)
-1.6567187
Log P
2.5258021
Molar Refractivity
92.0308
Polarizability
36.141712
Polar Surface Area
28.16
Rotatable Bonds
6
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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