Molecule

ID:19278

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂Cl₃N₃
Molecular Mass
326.69288
Exact Mass
325.08793076
Charge
0
InChI
InChI=1S/C13H20ClN3.2ClH/c1-16-6-8-17(9-7-16)13(10-15)11-2-4-12(14)5-3-11;;/h2-5,13H,6-10,15H2,1H3;2*1H
InChIKey
KWZDTMGUUAUODF-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)Cl)N1CCN(CC1)C.Cl.Cl
Isomeric Smiles
N1(C(c2ccc(cc2)Cl)CN)CCN(CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6487885
LogD (pH = 7.4)
-0.5429078
Log P
1.6285901
Molar Refractivity
73.0756
Polarizability
28.931402
Polar Surface Area
32.5
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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