(E)-1-(2,5-dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one

Formula:C13H8NOCl2FS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(2,5-dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2,5-dichlorothiophen-3-yl)-3-(4-fluoroanilino)prop-2-en-1-one
MolecularFormula	C13H8NOCl2FS
Smiles	O=C(/C=C/Nc(cc1)ccc1F)c(cc(s1)Cl)c1Cl
InChI	InChI=1S/C13H8Cl2FNOS/c14-12-7-10(13(15)19-12)11(18)5-6-17-9-3-1-8(16)2-4-9/h1-7,17H
InChIK	HKDOGJBUIUTQOT-UHFFFAOYSA-N
TotalMolweight	316.183
Molweight	316.183
MonoisotopicMass	314.968766
CLogP	3.9811
CLogS	-5.506
H Acceptors	2
H Donors	1
TotalSurfaceArea	221.86
Relative PSA	0.2022
PolarSurfaceArea	57.34
Druglikeness	0.63973
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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