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

Formula:C22H13O3ClF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 4-fluorobenzoate is not a drug-like molecule.

MolName	[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 4-fluorobenzoate
MolecularFormula	C22H13O3ClF2
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)c(cc1)ccc1OC(c(cc1)ccc1F)=O
InChI	InChI=1S/C22H13ClF2O3/c23-19-2-1-3-20(25)18(19)12-13-21(26)14-6-10-17(11-7-14)28-22(27)15-4-8-16(24)9-5-15/h1-13H
InChIK	XAMXURWEAOMXJI-UHFFFAOYSA-N
TotalMolweight	398.791
Molweight	398.791
MonoisotopicMass	398.052128
CLogP	5.5419
CLogS	-6.674
H Acceptors	3
TotalSurfaceArea	292.9
Relative PSA	0.12318
PolarSurfaceArea	43.37
Druglikeness	-1.1581
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
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
Symmetricatoms	4
StereoCon

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1 - [4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 4-fluorobenzoate | 2 - [4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 4-fluorobenzoate

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