(E)-N-(9,10-dioxoanthracen-1-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide

Formula:C21H12N2O5S Mutagenic:low Tumorigenic:none Reproductive Effective:none (E)-N-(9,10-dioxoanthracen-1-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(9,10-dioxoanthracen-1-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
MolecularFormula	C21H12N2O5S
Smiles	[O-][N+](c1ccc(/C=C/C(Nc(cccc2C(c3c4cccc3)=O)c2C4=O)=O)s1)=O
InChI	InChI=1S/C21H12N2O5S/c24-17(10-8-12-9-11-18(29-12)23(27)28)22-16-7-3-6-15-19(16)21(26)14-5-2-1-4-13(14)20(15)25/h1-11H,(H,22,24)
InChIK	POFHHKXKPIUQTH-UHFFFAOYSA-N
TotalMolweight	404.401
Molweight	404.401
MonoisotopicMass	404.046693
CLogP	3.6447
CLogS	-7.232
H Acceptors	7
H Donors	1
TotalSurfaceArea	290.1
Relative PSA	0.3494
PolarSurfaceArea	137.3
Druglikeness	-3.5644
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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