Molecule

ID:56485

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₂ClNO₂
Molecular Mass
367.86858
Exact Mass
367.13390663
Charge
0
InChI
InChI=1S/C22H22ClNO2/c1-4-5-9-26-17-8-6-7-16(12-17)20-13-19(22(23)25)18-11-14(2)10-15(3)21(18)24-20/h6-8,10-13H,4-5,9H2,1-3H3
InChIKey
LVZWIZXKWRXCBS-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C
Isomeric Smiles
n1c2c(c(cc1c1cc(OCCCC)ccc1)C(=O)Cl)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.5479302
LogD (pH = 7.4)
6.547959
Log P
6.5479593
Molar Refractivity
106.2774
Polarizability
43.264694
Polar Surface Area
39.19
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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