(E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one

Formula:C13H8O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C13H8O3Cl2
Smiles	Oc(c(C(/C=C/c1ccco1)=O)cc(Cl)c1)c1Cl
InChI	InChI=1S/C13H8Cl2O3/c14-8-6-10(13(17)11(15)7-8)12(16)4-3-9-2-1-5-18-9/h1-7,17H
InChIK	MIKNUQMCCASJTD-UHFFFAOYSA-N
TotalMolweight	283.11
Molweight	283.11
MonoisotopicMass	281.985049
CLogP	3.3588
CLogS	-4.698
H Acceptors	3
H Donors	1
TotalSurfaceArea	204.15
Relative PSA	0.19716
PolarSurfaceArea	50.44
Druglikeness	0.43898
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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