(E)-1-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one

Formula:C13H8O2Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2,4-dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C13H8O2Cl2
Smiles	O=C(/C=C/c1ccco1)c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C13H8Cl2O2/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-8H
InChIK	AJOIKJBJMCQVSB-UHFFFAOYSA-N
TotalMolweight	267.111
Molweight	267.111
MonoisotopicMass	265.990134
CLogP	3.7045
CLogS	-4.994
H Acceptors	2
TotalSurfaceArea	197.8
Relative PSA	0.13726
PolarSurfaceArea	30.21
Druglikeness	0.3845
Mutagenic	high
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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