2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

Formula:C15H12N2O3BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
MolecularFormulaC15H12N2O3BrCl
SmilesO=C(COc(ccc(Cl)c1)c1Br)N/N=C\C=C\c1ccco1
InChIInChI=1S/C15H12BrClN2O3/c16-13-9-11(17)5-6-14(13)22-10-15(20)19-18-7-1-3-12-4-2-8-21-12/h1-9H,10H2,(H,19,20)
InChIKAXNDSWJMZWTJEY-UHFFFAOYSA-N
TotalMolweight383.628
Molweight383.628
MonoisotopicMass381.971981
CLogP3.3147
CLogS-5.045
H Acceptors5
H Donors1
TotalSurfaceArea260.99
Relative PSA0.23035
PolarSurfaceArea63.83
Druglikeness2.4485
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.72727
Fragments1
Non HAtoms22
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms2
StereoCon

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