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

Formula:C20H11N2O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C20H11N2O2BrS
Smiles	N#C/C(/c1nc(-c2ccco2)cs1)=C\c1ccc(-c(cc2)ccc2Br)o1
InChI	InChI=1S/C20H11BrN2O2S/c21-15-5-3-13(4-6-15)18-8-7-16(25-18)10-14(11-22)20-23-17(12-26-20)19-2-1-9-24-19/h1-10,12H
InChIK	WXWWUUPZXNGLTN-UHFFFAOYSA-N
TotalMolweight	423.289
Molweight	423.289
MonoisotopicMass	421.972459
CLogP	4.8027
CLogS	-6.081
H Acceptors	4
TotalSurfaceArea	291.67
Relative PSA	0.25066
PolarSurfaceArea	91.2
Druglikeness	-2.8418
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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

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