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

Formula:C13H7NOCl2F2S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluoroanilino)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2,5-dichlorothiophen-3-yl)-3-(2,4-difluoroanilino)prop-2-en-1-one
MolecularFormula	C13H7NOCl2F2S
Smiles	O=C(/C=C/Nc(ccc(F)c1)c1F)c(cc(s1)Cl)c1Cl
InChI	InChI=1S/C13H7Cl2F2NOS/c14-12-6-8(13(15)20-12)11(19)3-4-18-10-2-1-7(16)5-9(10)17/h1-6,18H
InChIK	RZOLIBZJWYVNDV-UHFFFAOYSA-N
TotalMolweight	334.173
Molweight	334.173
MonoisotopicMass	332.959344
CLogP	4.0819
CLogS	-5.82
H Acceptors	2
H Donors	1
TotalSurfaceArea	228.21
Relative PSA	0.19657
PolarSurfaceArea	57.34
Druglikeness	0.63973
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
StereoCon

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