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

Formula:C18H11N4O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-fluoroanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(2-fluoroanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H11N4O2FS
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=C\Nc(cccc1)c1F
InChI	InChI=1S/C18H11FN4O2S/c19-15-6-1-2-7-16(15)21-10-13(9-20)18-22-17(11-26-18)12-4-3-5-14(8-12)23(24)25/h1-8,10-11,21H
InChIK	XHLFUFGHDYPCGY-UHFFFAOYSA-N
TotalMolweight	366.375
Molweight	366.375
MonoisotopicMass	366.058674
CLogP	2.2628
CLogS	-5.157
H Acceptors	6
H Donors	1
TotalSurfaceArea	275.38
Relative PSA	0.31509
PolarSurfaceArea	122.77
Druglikeness	-8.1822
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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