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

Formula:C17H9N3O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
MolecularFormula	C17H9N3O2Cl2S
Smiles	N#C/C(/C(Nc1nccs1)=O)=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C17H9Cl2N3O2S/c18-13-3-1-2-12(15(13)19)14-5-4-11(24-14)8-10(9-20)16(23)22-17-21-6-7-25-17/h1-8H,(H,21,22,23)
InChIK	FNSYUSFUMNOMTH-UHFFFAOYSA-N
TotalMolweight	390.249
Molweight	390.249
MonoisotopicMass	388.979251
CLogP	4.7645
CLogS	-6.435
H Acceptors	5
H Donors	1
TotalSurfaceArea	283.64
Relative PSA	0.29439
PolarSurfaceArea	107.16
Druglikeness	0.11082
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Amides	1
Aromatic Nitrogens	1
StereoCon

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