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

Formula:C21H11N2O2F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C21H11N2O2F3S
Smiles	N#C/C(/c1nc(-c2ccco2)cs1)=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChI	InChI=1S/C21H11F3N2O2S/c22-21(23,24)15-4-1-3-13(9-15)18-7-6-16(28-18)10-14(11-25)20-26-17(12-29-20)19-5-2-8-27-19/h1-10,12H
InChIK	OFHVHTUVMKMSNU-UHFFFAOYSA-N
TotalMolweight	412.39
Molweight	412.39
MonoisotopicMass	412.049332
CLogP	4.9258
CLogS	-6.025
H Acceptors	4
TotalSurfaceArea	302.5
Relative PSA	0.24169
PolarSurfaceArea	91.2
Druglikeness	-8.2418
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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