Molecule

ID:29281

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁Cl₂NO₂
Molecular Mass
354.27084
Exact Mass
353.09493428
Charge
0
InChI
InChI=1S/C18H21Cl2NO2/c1-2-3-11-22-16-7-5-15(6-8-16)21-10-12-23-18-9-4-14(19)13-17(18)20/h4-9,13,21H,2-3,10-12H2,1H3
InChIKey
ZAWBVUJWMYPBSK-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)NCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(ccc1OCCNc1ccc(cc1)OCCCC)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.2944183
LogD (pH = 7.4)
5.4617763
Log P
5.4643908
Molar Refractivity
96.7504
Polarizability
37.216396
Polar Surface Area
30.49
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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