(E)-2-cyano-N-(9,10-dioxoanthracen-2-yl)-3-thiophen-2-ylprop-2-enamide

Formula:C22H12N2O3S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(9,10-dioxoanthracen-2-yl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-N-(9,10-dioxoanthracen-2-yl)-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C22H12N2O3S
Smiles	N#C/C(/C(Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O)=O)=C\c1cccs1
InChI	InChI=1S/C22H12N2O3S/c23-12-13(10-15-4-3-9-28-15)22(27)24-14-7-8-18-19(11-14)21(26)17-6-2-1-5-16(17)20(18)25/h1-11H,(H,24,27)
InChIK	NZZQVFGWRXPMSJ-UHFFFAOYSA-N
TotalMolweight	384.414
Molweight	384.414
MonoisotopicMass	384.056863
CLogP	4.2287
CLogS	-6.894
H Acceptors	5
H Donors	1
TotalSurfaceArea	286.35
Relative PSA	0.29509
PolarSurfaceArea	115.27
Druglikeness	-0.040033
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Amides	1
StereoCon

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