Molecule

ID:90148

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇BrCl₂N₂O
Molecular Mass
370.02818
Exact Mass
367.91188021
Charge
0
InChI
InChI=1S/C14H7BrCl2N2O/c15-11-4-2-1-3-9(11)13-18-14(20-19-13)10-6-5-8(16)7-12(10)17/h1-7H
InChIKey
MSJONQGCEQKHBO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1onc(n1)c1ccccc1Br
Isomeric Smiles
Brc1c(cccc1)c1noc(n1)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.100441
LogD (pH = 7.4)
6.100441
Log P
6.100441
Molar Refractivity
104.4192
Polarizability
32.580345
Polar Surface Area
38.92
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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