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

Formula:C13H9O2Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(2-chlorophenyl)-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2-chlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C13H9O2Cl
Smiles	O=C(/C=C/c1ccco1)c(cccc1)c1Cl
InChI	InChI=1S/C13H9ClO2/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10/h1-9H
InChIK	CJFXYIJZMOEFAS-UHFFFAOYSA-N
TotalMolweight	232.665
Molweight	232.665
MonoisotopicMass	232.029107
CLogP	3.0985
CLogS	-4.258
H Acceptors	2
TotalSurfaceArea	182.38
Relative PSA	0.14887
PolarSurfaceArea	30.21
Druglikeness	0.3845
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
StereoCon

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