Molecule

ID:46195

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃Cl₂NO
Molecular Mass
352.29802
Exact Mass
351.11566972
Charge
0
InChI
InChI=1S/C19H22ClNO.ClH/c20-18-14-17(16-4-2-1-3-5-16)6-7-19(18)22-13-10-15-8-11-21-12-9-15;/h1-7,14-15,21H,8-13H2;1H
InChIKey
MMXOIDGEFKOQRQ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1OCCC1CCNCC1)c1ccccc1.Cl
Isomeric Smiles
c1(cc(c(cc1)OCCC1CCNCC1)Cl)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3062327
LogD (pH = 7.4)
1.7626227
Log P
4.5378184
Molar Refractivity
92.1146
Polarizability
37.571335
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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