N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

Formula:C27H18N2O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
MolecularFormula	C27H18N2O3
Smiles	C#CCOc1c(/C=N\NC(c2cc(c3ccccc3cc3)c3o2)=O)c2ccccc2cc1
InChI	InChI=1S/C27H18N2O3/c1-2-15-31-24-13-11-19-8-4-6-10-21(19)23(24)17-28-29-27(30)26-16-22-20-9-5-3-7-18(20)12-14-25(22)32-26/h1,3-14,16-17H,15H2,(H,29,30)
InChIK	XHEQMCDXZNRROB-UHFFFAOYSA-N
TotalMolweight	418.451
Molweight	418.451
MonoisotopicMass	418.131743
CLogP	6.0532
CLogS	-8.758
H Acceptors	5
H Donors	1
TotalSurfaceArea	328.05
Relative PSA	0.18326
PolarSurfaceArea	63.83
Druglikeness	4.515
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	23
Sp3Atoms	2
StereoCon

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