(E)-N-(9,10-dioxoanthracen-1-yl)-3-(furan-2-yl)prop-2-enamide

Formula:C21H13NO4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-N-(9,10-dioxoanthracen-1-yl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(9,10-dioxoanthracen-1-yl)-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C21H13NO4
Smiles	O=C(/C=C/c1ccco1)Nc(cccc1C(c2c3cccc2)=O)c1C3=O
InChI	InChI=1S/C21H13NO4/c23-18(11-10-13-5-4-12-26-13)22-17-9-3-8-16-19(17)21(25)15-7-2-1-6-14(15)20(16)24/h1-12H,(H,22,23)
InChIK	NPUCYDRZVOPHLX-UHFFFAOYSA-N
TotalMolweight	343.337
Molweight	343.337
MonoisotopicMass	343.084459
CLogP	3.6988
CLogS	-6.294
H Acceptors	5
H Donors	1
TotalSurfaceArea	260.18
Relative PSA	0.24864
PolarSurfaceArea	76.38
Druglikeness	0.11486
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Amides	1
StereoCon

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