Molecule

ID:83649

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₀ClNO₂
Molecular Mass
365.8527
Exact Mass
365.11825657
Charge
0
InChI
InChI=1S/C22H20NO2.ClH/c1-25-21-11-9-20(10-12-21)22(24)13-15-23-14-5-8-19(17-23)16-18-6-3-2-4-7-18;/h2-15,17H,16H2,1H3;1H/q+1;/p-1
InChIKey
WXKRWOYVHFQOHU-UHFFFAOYSA-M
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/[n+]1cccc(c1)Cc1ccccc1.[Cl-]
Isomeric Smiles
[n+]1(cccc(c1)Cc1ccccc1)/C=C/C(=O)c1ccc(cc1)OC.[Cl-]
Calculated Properties
JChem
Acid pKa
12.875431
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.43137962
LogD (pH = 7.4)
0.43137947
Log P
0.43137962
Molar Refractivity
101.0818
Polarizability
38.595505
Polar Surface Area
30.18
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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