(E)-3-(4-fluoro-2-nitroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C18H10N4O2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-fluoro-2-nitroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-fluoro-2-nitroanilino)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H10N4O2F2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\Nc(ccc(F)c1)c1[N+]([O-])=O
InChI	InChI=1S/C18H10F2N4O2S/c19-13-3-1-11(2-4-13)16-10-27-18(23-16)12(8-21)9-22-15-6-5-14(20)7-17(15)24(25)26/h1-7,9-10,22H
InChIK	UOVNQGIMEAOBEA-UHFFFAOYSA-N
TotalMolweight	384.365
Molweight	384.365
MonoisotopicMass	384.049252
CLogP	2.3636
CLogS	-5.471
H Acceptors	6
H Donors	1
TotalSurfaceArea	281.73
Relative PSA	0.30799
PolarSurfaceArea	122.77
Druglikeness	-8.1822
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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