Molecule

ID:56428

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₁BrClNO
Molecular Mass
360.63234
Exact Mass
358.97125366
Charge
0
InChI
InChI=1S/C17H11BrClNO/c1-10-3-2-4-13-14(17(19)21)9-15(20-16(10)13)11-5-7-12(18)8-6-11/h2-9H,1H3
InChIKey
JWONOCPLIRCKCR-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)Br)C(=O)Cl)cccc2C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.6370363
LogD (pH = 7.4)
5.6370625
Log P
5.6370625
Molar Refractivity
88.5222
Polarizability
36.05278
Polar Surface Area
29.96
Rotatable Bonds
2
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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