Molecule

ID:120586

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉Cl₂N₃
Molecular Mass
336.25886
Exact Mass
335.09560298
Charge
0
InChI
InChI=1S/C17H19Cl2N3/c18-15-4-2-1-3-13(15)12-21-7-9-22(10-8-21)17-6-5-14(20)11-16(17)19/h1-6,11H,7-10,12,20H2
InChIKey
GMLVXCKBVXZNQV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)N1CCN(CC1)Cc1ccccc1Cl
Isomeric Smiles
N1(c2c(cc(cc2)N)Cl)CCN(Cc2c(Cl)cccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8161306
LogD (pH = 7.4)
3.9676018
Log P
4.032046
Molar Refractivity
95.4593
Polarizability
35.936996
Polar Surface Area
32.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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