(E)-1-(3-chloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one

Formula:C13H9O3Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(3-chloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(3-chloro-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C13H9O3Cl
Smiles	Oc(c(C(/C=C/c1ccco1)=O)ccc1)c1Cl
InChI	InChI=1S/C13H9ClO3/c14-11-5-1-4-10(13(11)16)12(15)7-6-9-3-2-8-17-9/h1-8,16H
InChIK	WDBKFOOHOSAOOE-UHFFFAOYSA-N
TotalMolweight	248.664
Molweight	248.664
MonoisotopicMass	248.024022
CLogP	2.7528
CLogS	-3.962
H Acceptors	3
H Donors	1
TotalSurfaceArea	188.73
Relative PSA	0.21327
PolarSurfaceArea	50.44
Druglikeness	0.43898
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
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
Sp3Atoms	1
StereoCon

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