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

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

MolName	(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-nitroanilino)prop-2-enenitrile
MolecularFormula	C18H11N4O2FS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\Nc(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C18H11FN4O2S/c19-14-3-1-12(2-4-14)17-11-26-18(22-17)13(9-20)10-21-15-5-7-16(8-6-15)23(24)25/h1-8,10-11,21H
InChIK	WXRHLTYJDUDFNP-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	0.65385
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
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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