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

Formula:C16H9N2OBrS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
MolecularFormula	C16H9N2OBrS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=C\c1ccco1
InChI	InChI=1S/C16H9BrN2OS/c17-13-5-3-11(4-6-13)15-10-21-16(19-15)12(9-18)8-14-2-1-7-20-14/h1-8,10H
InChIK	COOXZOLWMKWVQI-UHFFFAOYSA-N
TotalMolweight	357.23
Molweight	357.23
MonoisotopicMass	355.961894
CLogP	3.8268
CLogS	-4.953
H Acceptors	3
TotalSurfaceArea	242.22
Relative PSA	0.24358
PolarSurfaceArea	78.06
Druglikeness	-3.7822
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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