[4-chloro-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] furan-2-carboxylate

Formula:C20H12O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-chloro-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] furan-2-carboxylate is a drug-like molecule.

MolName	[4-chloro-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] furan-2-carboxylate
MolecularFormula	C20H12O4ClF
Smiles	O=C(/C=C/c(cc1)ccc1F)c(cc(cc1)Cl)c1OC(c1ccco1)=O
InChI	InChI=1S/C20H12ClFO4/c21-14-6-10-18(26-20(24)19-2-1-11-25-19)16(12-14)17(23)9-5-13-3-7-15(22)8-4-13/h1-12H
InChIK	QTGSVGMXTHXCIJ-UHFFFAOYSA-N
TotalMolweight	370.762
Molweight	370.762
MonoisotopicMass	370.040815
CLogP	4.6298
CLogS	-6.042
H Acceptors	4
TotalSurfaceArea	276.24
Relative PSA	0.18169
PolarSurfaceArea	56.51
Druglikeness	-0.66502
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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