N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

Formula:C23H14N2O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
MolecularFormula	C23H14N2O3Cl2
Smiles	C#CCOc(c(Cl)cc(/C=N\NC(c1cc(c2ccccc2cc2)c2o1)=O)c1)c1Cl
InChI	InChI=1S/C23H14Cl2N2O3/c1-2-9-29-22-18(24)10-14(11-19(22)25)13-26-27-23(28)21-12-17-16-6-4-3-5-15(16)7-8-20(17)30-21/h1,3-8,10-13H,9H2,(H,27,28)
InChIK	ANETUNRLPOQFFD-UHFFFAOYSA-N
TotalMolweight	437.281
Molweight	437.281
MonoisotopicMass	436.038147
CLogP	6.0708
CLogS	-8.624
H Acceptors	5
H Donors	1
TotalSurfaceArea	324.29
Relative PSA	0.18539
PolarSurfaceArea	63.83
Druglikeness	4.565
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Symmetricatoms	3
StereoCon

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