4-[(E)-3-oxo-3-(2,3,4-trichlorophenyl)prop-1-enyl]benzoic acid

Formula:C16H9O3Cl3 Mutagenic:low Tumorigenic:low Reproductive Effective:high 4-[(E)-3-oxo-3-(2,3,4-trichlorophenyl)prop-1-enyl]benzoic acid is a drug-like molecule.

MolName	4-[(E)-3-oxo-3-(2,3,4-trichlorophenyl)prop-1-enyl]benzoic acid
MolecularFormula	C16H9O3Cl3
Smiles	OC(c1ccc(/C=C/C(c(c(Cl)c2Cl)ccc2Cl)=O)cc1)=O
InChI	InChI=1S/C16H9Cl3O3/c17-12-7-6-11(14(18)15(12)19)13(20)8-3-9-1-4-10(5-2-9)16(21)22/h1-8H,(H,21,22)
InChIK	ZOYLRFVRVNAPQT-UHFFFAOYSA-N
TotalMolweight	355.603
Molweight	355.603
MonoisotopicMass	353.961726
CLogP	4.6069
CLogS	-6.061
H Acceptors	3
H Donors	1
TotalSurfaceArea	247.63
Relative PSA	0.15822
PolarSurfaceArea	54.37
Druglikeness	0.13349
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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