Molecule

ID:46367

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀Cl₃NO
Molecular Mass
324.6737
Exact Mass
323.06104731
Charge
0
InChI
InChI=1S/C14H19Cl2NO.ClH/c15-13-2-1-12(14(16)9-13)10-18-8-5-11-3-6-17-7-4-11;/h1-2,9,11,17H,3-8,10H2;1H
InChIKey
NPJHQOPJMFUFGB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)COCCC1CCNCC1.Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)COCCC1CCNCC1)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.29650003
LogD (pH = 7.4)
0.7528899
Log P
3.5280857
Molar Refractivity
76.8871
Polarizability
30.2872
Polar Surface Area
21.26
Rotatable Bonds
5
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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