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

Formula:C19H11N2O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C19H11N2O2BrS
Smiles	N#C/C(/c1nc(-c2cccc(Br)c2)cs1)=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C19H11BrN2O2S/c20-15-3-1-2-13(8-15)16-10-25-19(22-16)14(9-21)6-12-4-5-17-18(7-12)24-11-23-17/h1-8,10H,11H2
InChIK	PBGOKNQJGHPWIC-UHFFFAOYSA-N
TotalMolweight	411.278
Molweight	411.278
MonoisotopicMass	409.972459
CLogP	4.7495
CLogS	-5.982
H Acceptors	4
TotalSurfaceArea	272.79
Relative PSA	0.23788
PolarSurfaceArea	83.38
Druglikeness	-3.562
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
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
Aromatic Nitrogens	1
StereoCon

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