[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate

Formula:C24H16O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.

MolName	[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate
MolecularFormula	C24H16O3ClF
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)c(cc1)ccc1OC(/C=C/c1ccccc1)=O
InChI	InChI=1S/C24H16ClFO3/c25-21-7-4-8-22(26)20(21)14-15-23(27)18-10-12-19(13-11-18)29-24(28)16-9-17-5-2-1-3-6-17/h1-16H
InChIK	XQRXTQFKBXUMAS-UHFFFAOYSA-N
TotalMolweight	406.839
Molweight	406.839
MonoisotopicMass	406.0772
CLogP	5.7703
CLogS	-6.73
H Acceptors	3
TotalSurfaceArea	313.05
Relative PSA	0.11525
PolarSurfaceArea	43.37
Druglikeness	-3.6466
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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