2-(2-chlorophenoxy)-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]acetamide

Formula:C19H14N2O3ClI Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-(2-chlorophenoxy)-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.

MolName2-(2-chlorophenoxy)-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]acetamide
MolecularFormulaC19H14N2O3ClI
SmilesO=C(COc(cccc1)c1Cl)N/N=C\c1ccc(-c(cc2)ccc2I)o1
InChIInChI=1S/C19H14ClIN2O3/c20-16-3-1-2-4-18(16)25-12-19(24)23-22-11-15-9-10-17(26-15)13-5-7-14(21)8-6-13/h1-11H,12H2,(H,23,24)
InChIKTYQZEJFBSMDALE-UHFFFAOYSA-N
TotalMolweight480.684
Molweight480.684
MonoisotopicMass479.973768
CLogP4.7585
CLogS-6.713
H Acceptors5
H Donors1
TotalSurfaceArea301.9
Relative PSA0.19914
PolarSurfaceArea63.83
Druglikeness6.8187
Mutagenichigh
Tumorigenichigh
Reproductive Effectivelow
Irritantlow
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.69231
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms2
StereoCon

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