(E)-2-cyano-N-(2,3-dichlorophenyl)-3-[5-(9,10-dioxoanthracen-1-yl)furan-2-yl]prop-2-enamide

Formula:C28H14N2O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-(2,3-dichlorophenyl)-3-[5-(9,10-dioxoanthracen-1-yl)furan-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(2,3-dichlorophenyl)-3-[5-(9,10-dioxoanthracen-1-yl)furan-2-yl]prop-2-enamide
MolecularFormula	C28H14N2O4Cl2
Smiles	N#C/C(/C(Nc1cccc(Cl)c1Cl)=O)=C\c1ccc(-c(cccc2C(c3c4cccc3)=O)c2C4=O)o1
InChI	InChI=1S/C28H14Cl2N2O4/c29-21-9-4-10-22(25(21)30)32-28(35)15(14-31)13-16-11-12-23(36-16)19-7-3-8-20-24(19)27(34)18-6-2-1-5-17(18)26(20)33/h1-13H,(H,32,35)
InChIK	RPRISQLHRPJYSA-UHFFFAOYSA-N
TotalMolweight	513.335
Molweight	513.335
MonoisotopicMass	512.033062
CLogP	6.513
CLogS	-9.816
H Acceptors	6
H Donors	1
TotalSurfaceArea	370.7
Relative PSA	0.21109
PolarSurfaceArea	100.17
Druglikeness	-0.56304
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Amides	1
StereoCon

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