Molecule

ID:61647

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈BrClN₂O₂
Molecular Mass
315.55042
Exact Mass
313.94576719
Charge
0
InChI
InChI=1S/C11H8BrClN2O2/c1-2-17-11(16)8-4-6-3-7(12)5-14-10(6)15-9(8)13/h3-5H,2H2,1H3
InChIKey
YBJKOMHKVBMRIF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2cc(Br)cnc2nc1Cl
Isomeric Smiles
c1(c(nc2ncc(cc2c1)Br)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.191492
LogD (pH = 7.4)
3.191492
Log P
3.191492
Molar Refractivity
69.658
Polarizability
26.522411
Polar Surface Area
52.08
Rotatable Bonds
3
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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