Molecule

ID:29482

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁Cl₂NO₂
Molecular Mass
354.27084
Exact Mass
353.09493428
Charge
0
InChI
InChI=1S/C18H21Cl2NO2/c1-2-22-16-7-5-6-15(13-16)21-10-3-4-11-23-18-9-8-14(19)12-17(18)20/h5-9,12-13,21H,2-4,10-11H2,1H3
InChIKey
XBBXDIHIBTYDNS-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)NCCCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(ccc1OCCCCNc1cc(OCC)ccc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.0190287
LogD (pH = 7.4)
5.073876
Log P
5.074622
Molar Refractivity
97.1354
Polarizability
37.217667
Polar Surface Area
30.49
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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