(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide

Formula:C19H12N2O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C19H12N2O3Cl2S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)Nc1nc(-c(cc2)cc(Cl)c2Cl)cs1
InChI	InChI=1S/C19H12Cl2N2O3S/c20-13-4-3-12(8-14(13)21)15-9-27-19(22-15)23-18(24)6-2-11-1-5-16-17(7-11)26-10-25-16/h1-9H,10H2,(H,22,23,24)
InChIK	VWDIWIIFGVYFKT-UHFFFAOYSA-N
TotalMolweight	419.287
Molweight	419.287
MonoisotopicMass	417.994567
CLogP	5.8352
CLogS	-7.192
H Acceptors	5
H Donors	1
TotalSurfaceArea	294.29
Relative PSA	0.25767
PolarSurfaceArea	88.69
Druglikeness	1.3735
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	1
StereoCon

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