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

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

MolName	(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-bromophenyl)prop-2-enenitrile
MolecularFormula	C19H11N2O2BrS
Smiles	N#C/C(/c1nc(-c(cc2)cc3c2OCO3)cs1)=C\c(cccc1)c1Br
InChI	InChI=1S/C19H11BrN2O2S/c20-15-4-2-1-3-12(15)7-14(9-21)19-22-16(10-25-19)13-5-6-17-18(8-13)24-11-23-17/h1-8,10H,11H2
InChIK	VGCPWBVKSCABAG-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	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
Aromatic Nitrogens	1
StereoCon

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