(E)-3-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C19H12N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C19H12N2O2S
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C19H12N2O2S/c20-10-15(8-13-6-7-17-18(9-13)23-12-22-17)19-21-16(11-24-19)14-4-2-1-3-5-14/h1-9,11H,12H2
InChIK	OXOFWTCOJLDNJQ-UHFFFAOYSA-N
TotalMolweight	332.382
Molweight	332.382
MonoisotopicMass	332.061948
CLogP	4.0243
CLogS	-5.148
H Acceptors	4
TotalSurfaceArea	254.16
Relative PSA	0.25531
PolarSurfaceArea	83.38
Druglikeness	-1.772
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
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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