Molecule

ID:56357

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉BrClNO₂
Molecular Mass
350.59446
Exact Mass
348.95051821
Charge
0
InChI
InChI=1S/C15H9BrClNO2/c1-8-2-5-14(20-8)13-7-11(15(17)19)10-6-9(16)3-4-12(10)18-13/h2-7H,1H3
InChIKey
VZERTSYNEYUFST-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c(cc(n2)c1ccc(o1)C)C(=O)Cl
Isomeric Smiles
c1(c2c(nc(c3oc(cc3)C)c1)ccc(c2)Br)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.383449
LogD (pH = 7.4)
4.383449
Log P
4.383449
Molar Refractivity
81.0216
Polarizability
32.987083
Polar Surface Area
43.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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