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

Formula:C20H12N2O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)prop-2-enenitrile
MolecularFormula	C20H12N2O2S
Smiles	N#C/C(/c1nc(-c2ccco2)cs1)=C\c1ccc(-c2ccccc2)o1
InChI	InChI=1S/C20H12N2O2S/c21-12-15(20-22-17(13-25-20)19-7-4-10-23-19)11-16-8-9-18(24-16)14-5-2-1-3-6-14/h1-11,13H
InChIK	WNSSUTXHFQWYPN-UHFFFAOYSA-N
TotalMolweight	344.393
Molweight	344.393
MonoisotopicMass	344.061948
CLogP	4.0775
CLogS	-5.247
H Acceptors	4
TotalSurfaceArea	273.04
Relative PSA	0.26776
PolarSurfaceArea	91.2
Druglikeness	-1.0518
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
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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