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

Formula:C22H11N2O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
MolecularFormula	C22H11N2O2F3S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C/c1c(C(F)(F)F)cccc1
InChI	InChI=1S/C22H11F3N2O2S/c23-22(24,25)17-7-3-1-5-13(17)9-15(11-26)20-27-18(12-30-20)16-10-14-6-2-4-8-19(14)29-21(16)28/h1-10,12H
InChIK	HIGYINGFKIVQDE-UHFFFAOYSA-N
TotalMolweight	424.401
Molweight	424.401
MonoisotopicMass	424.049332
CLogP	4.158
CLogS	-5.172
H Acceptors	4
TotalSurfaceArea	302.32
Relative PSA	0.2247
PolarSurfaceArea	91.22
Druglikeness	-8.4767
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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