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

Formula:C19H10N3O2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
MolecularFormula	C19H10N3O2F3S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)=C\c1c(C(F)(F)F)cccc1
InChI	InChI=1S/C19H10F3N3O2S/c20-19(21,22)16-4-2-1-3-13(16)9-14(10-23)18-24-17(11-28-18)12-5-7-15(8-6-12)25(26)27/h1-9,11H
InChIK	ZJYLXEVOXZGGAI-UHFFFAOYSA-N
TotalMolweight	401.367
Molweight	401.367
MonoisotopicMass	401.044581
CLogP	3.8396
CLogS	-5.675
H Acceptors	5
TotalSurfaceArea	287.03
Relative PSA	0.26238
PolarSurfaceArea	110.74
Druglikeness	-13.989
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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