[5-(2,3-dichlorophenyl)furan-2-yl]methyl (E)-3-phenylprop-2-enoate

Formula:C20H14O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [5-(2,3-dichlorophenyl)furan-2-yl]methyl (E)-3-phenylprop-2-enoate is not a drug-like molecule.

MolName	[5-(2,3-dichlorophenyl)furan-2-yl]methyl (E)-3-phenylprop-2-enoate
MolecularFormula	C20H14O3Cl2
Smiles	O=C(/C=C/c1ccccc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C20H14Cl2O3/c21-17-8-4-7-16(20(17)22)18-11-10-15(25-18)13-24-19(23)12-9-14-5-2-1-3-6-14/h1-12H,13H2
InChIK	AURWGOLCNILYES-UHFFFAOYSA-N
TotalMolweight	373.234
Molweight	373.234
MonoisotopicMass	372.031999
CLogP	5.4708
CLogS	-6.382
H Acceptors	3
TotalSurfaceArea	281.32
Relative PSA	0.13206
PolarSurfaceArea	39.44
Druglikeness	-1.5337
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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