(E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C19H10N2O2Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C19H10N2O2Cl2S
Smiles	N#C/C(/c1nc(-c2cc(Cl)ccc2)cs1)=C\c(cc1OCOc1c1)c1Cl
InChI	InChI=1S/C19H10Cl2N2O2S/c20-14-3-1-2-11(5-14)16-9-26-19(23-16)13(8-22)4-12-6-17-18(7-15(12)21)25-10-24-17/h1-7,9H,10H2
InChIK	ILLMSGNYDREDRZ-UHFFFAOYSA-N
TotalMolweight	401.272
Molweight	401.272
MonoisotopicMass	399.984002
CLogP	5.2363
CLogS	-6.62
H Acceptors	4
TotalSurfaceArea	285
Relative PSA	0.22768
PolarSurfaceArea	83.38
Druglikeness	-1.7092
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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