(1E,4E)-1-(2,4-dichlorophenyl)-5-phenylpenta-1,4-dien-3-one

Formula:C17H12OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,4E)-1-(2,4-dichlorophenyl)-5-phenylpenta-1,4-dien-3-one is not a drug-like molecule.

MolName	(1E,4E)-1-(2,4-dichlorophenyl)-5-phenylpenta-1,4-dien-3-one
MolecularFormula	C17H12OCl2
Smiles	O=C(/C=C/c1ccccc1)/C=C/c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C17H12Cl2O/c18-15-9-7-14(17(19)12-15)8-11-16(20)10-6-13-4-2-1-3-5-13/h1-12H
InChIK	GBJHNPAIDVVEIQ-UHFFFAOYSA-N
TotalMolweight	303.187
Molweight	303.187
MonoisotopicMass	302.026519
CLogP	5.1366
CLogS	-5.458
H Acceptors	1
TotalSurfaceArea	234.61
Relative PSA	0.055582
PolarSurfaceArea	17.07
Druglikeness	0.7458
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
StereoCon

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