Molecule

ID:102643

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₈ClNO₃
Molecular Mass
367.82552
Exact Mass
367.09752112
Charge
0
InChI
InChI=1S/C21H18ClNO3/c1-13-7-8-18(14(2)9-13)23-21(25)17-10-15-5-3-4-6-16(15)11-19(17)26-20(24)12-22/h3-11H,12H2,1-2H3,(H,23,25)
InChIKey
JEGXYUVTJJUVQG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(cc1C)C
Isomeric Smiles
Cc1ccc(NC(=O)c2c(OC(=O)CCl)cc3ccccc3c2)c(C)c1
Calculated Properties
JChem
Acid pKa
11.748207
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.2260547
LogD (pH = 7.4)
5.2260365
Log P
5.226055
Molar Refractivity
104.0097
Polarizability
40.21409
Polar Surface Area
55.4
Rotatable Bonds
5
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
References
Bioactivity
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