dibenzofuran-2-yl (E)-3-(2-chlorophenyl)prop-2-enoate

Formula:C21H13O3Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none dibenzofuran-2-yl (E)-3-(2-chlorophenyl)prop-2-enoate is not a drug-like molecule.

MolName	dibenzofuran-2-yl (E)-3-(2-chlorophenyl)prop-2-enoate
MolecularFormula	C21H13O3Cl
Smiles	O=C(/C=C/c(cccc1)c1Cl)Oc(cc1)cc2c1oc1c2cccc1
InChI	InChI=1S/C21H13ClO3/c22-18-7-3-1-5-14(18)9-12-21(23)24-15-10-11-20-17(13-15)16-6-2-4-8-19(16)25-20/h1-13H
InChIK	YBGCKANWYHERPT-UHFFFAOYSA-N
TotalMolweight	348.784
Molweight	348.784
MonoisotopicMass	348.055322
CLogP	5.7938
CLogS	-6.852
H Acceptors	3
TotalSurfaceArea	261.58
Relative PSA	0.14202
PolarSurfaceArea	39.44
Druglikeness	-3.1899
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	1
StereoCon

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