[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] 2-fluorobenzoate

Formula:C22H13O3Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] 2-fluorobenzoate is not a drug-like molecule.

MolName	[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] 2-fluorobenzoate
MolecularFormula	C22H13O3Cl2F
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)c(cc1)ccc1OC(c(cccc1)c1F)=O
InChI	InChI=1S/C22H13Cl2FO3/c23-16-9-5-14(19(24)13-16)8-12-21(26)15-6-10-17(11-7-15)28-22(27)18-3-1-2-4-20(18)25/h1-13H
InChIK	HLVMQGWJNNKVRE-UHFFFAOYSA-N
TotalMolweight	415.246
Molweight	415.246
MonoisotopicMass	414.022577
CLogP	6.0471
CLogS	-7.096
H Acceptors	3
TotalSurfaceArea	301.97
Relative PSA	0.11948
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	2
StereoCon

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