(E)-3-(4-fluorophenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]prop-2-enamide

Formula:C18H15N4O5FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(4-fluorophenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-fluorophenyl)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
MolecularFormula	C18H15N4O5FS
Smiles	[O-][N+](c(cc1)ccc1OCC(NNC(NC(/C=C/c(cc1)ccc1F)=O)=S)=O)=O
InChI	InChI=1S/C18H15FN4O5S/c19-13-4-1-12(2-5-13)3-10-16(24)20-18(29)22-21-17(25)11-28-15-8-6-14(7-9-15)23(26)27/h1-10H,11H2,(H,21,25)(H2,20,22,24,29)
InChIK	KMYNZSUBEBOYDY-UHFFFAOYSA-N
TotalMolweight	418.404
Molweight	418.404
MonoisotopicMass	418.074719
CLogP	0.8833
CLogS	-4.779
H Acceptors	9
H Donors	3
TotalSurfaceArea	315.89
Relative PSA	0.40799
PolarSurfaceArea	157.37
Druglikeness	-5.2273
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.72414
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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