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

Formula:C22H13O3Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate
MolecularFormula	C22H13O3Cl2F
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)c(cc1)ccc1OC(c(cccc1)c1Cl)=O
InChI	InChI=1S/C22H13Cl2FO3/c23-18-6-3-7-20(25)16(18)12-13-21(26)14-8-10-15(11-9-14)28-22(27)17-4-1-2-5-19(17)24/h1-13H
InChIK	ABISYJOZRDWRHX-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	0.60714
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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1 - [4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate | 2 - [4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate

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