[4-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]phenyl] benzoate

Formula:C22H14O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]phenyl] benzoate is not a drug-like molecule.

MolName	[4-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]phenyl] benzoate
MolecularFormula	C22H14O3Cl2
Smiles	O=C(/C=C/c(c(Cl)ccc1)c1Cl)c(cc1)ccc1OC(c1ccccc1)=O
InChI	InChI=1S/C22H14Cl2O3/c23-19-7-4-8-20(24)18(19)13-14-21(25)15-9-11-17(12-10-15)27-22(26)16-5-2-1-3-6-16/h1-14H
InChIK	JXUWYIRPXRQKDE-UHFFFAOYSA-N
TotalMolweight	397.256
Molweight	397.256
MonoisotopicMass	396.031999
CLogP	5.9463
CLogS	-6.782
H Acceptors	3
TotalSurfaceArea	295.62
Relative PSA	0.12205
PolarSurfaceArea	43.37
Druglikeness	0.18192
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	7
StereoCon

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