Molecule

ID:57115

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₂ClNO
Molecular Mass
351.86918
Exact Mass
351.13899201
Charge
0
InChI
InChI=1S/C22H22ClNO/c1-5-14-6-11-19-17(12-14)18(21(23)25)13-20(24-19)15-7-9-16(10-8-15)22(2,3)4/h6-13H,5H2,1-4H3
InChIKey
IYEUNZWRDVNLKY-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)c(cc(n2)c1ccc(cc1)C(C)(C)C)C(=O)Cl
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)c1ccc(cc1)C(C)(C)C)C(=O)Cl)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.857896
LogD (pH = 7.4)
6.8579345
Log P
6.857935
Molar Refractivity
104.1663
Polarizability
42.632565
Polar Surface Area
29.96
Rotatable Bonds
4
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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