N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-1,3-benzodioxole-5-carboxamide

Formula:C20H12N2O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.

MolName	N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-1,3-benzodioxole-5-carboxamide
MolecularFormula	C20H12N2O4
Smiles	O=C(c(cc1)cc2c1OCO2)N/N=C(\c1c(c2ccc3)c3ccc1)/C2=O
InChI	InChI=1S/C20H12N2O4/c23-19-14-6-2-4-11-3-1-5-13(17(11)14)18(19)21-22-20(24)12-7-8-15-16(9-12)26-10-25-15/h1-9H,10H2,(H,22,24)
InChIK	MIUOTZOWWQCFRO-UHFFFAOYSA-N
TotalMolweight	344.325
Molweight	344.325
MonoisotopicMass	344.079708
CLogP	3.9453
CLogS	-6.628
H Acceptors	6
H Donors	1
TotalSurfaceArea	244.31
Relative PSA	0.28263
PolarSurfaceArea	76.99
Druglikeness	4.0411
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
StereoCon

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