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

Formula:C19H11N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-benzodioxol-4-yl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-4-yl)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C19H11N2O2ClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\c1c2OCOc2ccc1
InChI	InChI=1S/C19H11ClN2O2S/c20-15-6-4-12(5-7-15)16-10-25-19(22-16)14(9-21)8-13-2-1-3-17-18(13)24-11-23-17/h1-8,10H,11H2
InChIK	BFSNRHDOIZZHSA-UHFFFAOYSA-N
TotalMolweight	366.827
Molweight	366.827
MonoisotopicMass	366.022975
CLogP	4.6303
CLogS	-5.884
H Acceptors	4
TotalSurfaceArea	269.58
Relative PSA	0.24071
PolarSurfaceArea	83.38
Druglikeness	-1.7092
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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