Molecule

ID:56548

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₀BrCl₂NO
Molecular Mass
395.0774
Exact Mass
392.93228131
Charge
0
InChI
InChI=1S/C17H10BrCl2NO/c1-9-14(19)7-6-12-13(17(20)22)8-15(21-16(9)12)10-2-4-11(18)5-3-10/h2-8H,1H3
InChIKey
UMXFDUWIHQMFNI-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.2411036
LogD (pH = 7.4)
6.2411075
Log P
6.2411075
Molar Refractivity
93.327
Polarizability
37.95271
Polar Surface Area
29.96
Rotatable Bonds
2
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
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References
Bioactivity
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