N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide

Formula:C18H19N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
MolecularFormula	C18H19N3O4
Smiles	O=C(c(cc1)cc2c1OCO2)N/N=C\c1ccc(N2CCCCC2)o1
InChI	InChI=1S/C18H19N3O4/c22-18(13-4-6-15-16(10-13)24-12-23-15)20-19-11-14-5-7-17(25-14)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9,12H2,(H,20,22)
InChIK	ZIERWTWKGZOSBQ-UHFFFAOYSA-N
TotalMolweight	341.366
Molweight	341.366
MonoisotopicMass	341.137557
CLogP	3.6861
CLogS	-5.631
H Acceptors	7
H Donors	1
TotalSurfaceArea	262.54
Relative PSA	0.2806
PolarSurfaceArea	76.3
Druglikeness	6.1711
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
StereoCon

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