[4-fluoro-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] 2-bromobenzoate

Formula:C22H13O3BrF2 Mutagenic:none Tumorigenic:none Reproductive Effective:low [4-fluoro-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName	[4-fluoro-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] 2-bromobenzoate
MolecularFormula	C22H13O3BrF2
Smiles	O=C(/C=C/c(cccc1)c1F)c(cc(cc1)F)c1OC(c(cccc1)c1Br)=O
InChI	InChI=1S/C22H13BrF2O3/c23-18-7-3-2-6-16(18)22(27)28-21-12-10-15(24)13-17(21)20(26)11-9-14-5-1-4-8-19(14)25/h1-13H
InChIK	IJBGIDNOIXWFQN-UHFFFAOYSA-N
TotalMolweight	443.242
Molweight	443.242
MonoisotopicMass	442.001612
CLogP	5.6611
CLogS	-6.772
H Acceptors	3
TotalSurfaceArea	296.11
Relative PSA	0.12185
PolarSurfaceArea	43.37
Druglikeness	-3.0518
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
StereoCon

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1 - [4-fluoro-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] 2-bromobenzoate | 2 - [4-fluoro-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] 2-bromobenzoate

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