Molecule

ID:55098

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉BrCl₂N₂O
Molecular Mass
384.05476
Exact Mass
381.92753028
Charge
0
InChI
InChI=1S/C15H8BrClN2O.ClH/c16-10-3-4-13-11(6-10)12(15(17)20)7-14(19-13)9-2-1-5-18-8-9;/h1-8H;1H
InChIKey
HAYOMHKQYGGCKS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c(cc(n2)c1cccnc1)C(=O)Cl.Cl
Isomeric Smiles
c1(c2c(nc(c1)c1cnccc1)ccc(c2)Br)C(=O)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8828201
LogD (pH = 7.4)
3.9056678
Log P
3.905969
Molar Refractivity
81.3241
Polarizability
33.420193
Polar Surface Area
42.85
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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