Molecule

ID:56368

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅BrClNO
Molecular Mass
388.6855
Exact Mass
387.00255379
Charge
0
InChI
InChI=1S/C19H15BrClNO/c1-11(2)12-3-5-13(6-4-12)18-10-16(19(21)23)15-9-14(20)7-8-17(15)22-18/h3-11H,1-2H3
InChIKey
SNNYYZJSOQZRFE-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c(cc(n2)c1ccc(cc1)C(C)C)C(=O)Cl
Isomeric Smiles
c1(c2c(nc(c1)c1ccc(cc1)C(C)C)ccc(c2)Br)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.3686466
LogD (pH = 7.4)
6.3686504
Log P
6.3686504
Molar Refractivity
97.6718
Polarizability
39.729595
Polar Surface Area
29.96
Rotatable Bonds
3
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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