(E)-3-(2-chlorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enamide

Formula:C21H13N2O3ClS Mutagenic:none Tumorigenic:high Reproductive Effective:low (E)-3-(2-chlorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C21H13N2O3ClS
Smiles	O=C(/C=C/c(cccc1)c1Cl)Nc1nc(C2=Cc(cccc3)c3OC2=O)cs1
InChI	InChI=1S/C21H13ClN2O3S/c22-16-7-3-1-5-13(16)9-10-19(25)24-21-23-17(12-28-21)15-11-14-6-2-4-8-18(14)27-20(15)26/h1-12H,(H,23,24,25)
InChIK	NPMDBCHYFCJPCI-UHFFFAOYSA-N
TotalMolweight	408.864
Molweight	408.864
MonoisotopicMass	408.03354
CLogP	4.5146
CLogS	-5.702
H Acceptors	5
H Donors	1
TotalSurfaceArea	297.57
Relative PSA	0.26505
PolarSurfaceArea	96.53
Druglikeness	2.13
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
StereoCon

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