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

Formula:C26H13N2O3F3S Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C26H13N2O3F3S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChI	InChI=1S/C26H13F3N2O3S/c27-26(28,29)18-6-3-5-15(10-18)23-9-8-19(33-23)11-17(13-30)24-31-21(14-35-24)20-12-16-4-1-2-7-22(16)34-25(20)32/h1-12,14H
InChIK	YVIAHGCPYQAPOT-UHFFFAOYSA-N
TotalMolweight	490.46
Molweight	490.46
MonoisotopicMass	490.059897
CLogP	5.0969
CLogS	-6.632
H Acceptors	5
TotalSurfaceArea	351.77
Relative PSA	0.23322
PolarSurfaceArea	104.36
Druglikeness	-7.601
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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

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