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

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

MolName	[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 4-chlorobenzoate
MolecularFormula	C22H13O3Cl2F
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)c(cc1)ccc1OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C22H13Cl2FO3/c23-16-8-4-15(5-9-16)22(27)28-17-10-6-14(7-11-17)21(26)13-12-18-19(24)2-1-3-20(18)25/h1-13H
InChIK	JEPUJQRAMURGAQ-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	4
StereoCon

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