(E)-3-(3,4-dichlorophenyl)-1-thiophen-2-ylprop-2-en-1-one

Formula:C13H8OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,4-dichlorophenyl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3,4-dichlorophenyl)-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C13H8OCl2S
Smiles	O=C(/C=C/c(cc1)cc(Cl)c1Cl)c1cccs1
InChI	InChI=1S/C13H8Cl2OS/c14-10-5-3-9(8-11(10)15)4-6-12(16)13-2-1-7-17-13/h1-8H
InChIK	WYBSEBZDXWKGMZ-UHFFFAOYSA-N
TotalMolweight	283.178
Molweight	283.178
MonoisotopicMass	281.967289
CLogP	4.3824
CLogS	-5.322
H Acceptors	1
TotalSurfaceArea	204.05
Relative PSA	0.16369
PolarSurfaceArea	45.31
Druglikeness	2.7983
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
StereoCon

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