(E)-1-(4-chloro-3-nitrophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one

Formula:C15H8NO3Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-chloro-3-nitrophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-chloro-3-nitrophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C15H8NO3Cl3
Smiles	[O-][N+](c(cc(cc1)C(/C=C/c(c(Cl)ccc2)c2Cl)=O)c1Cl)=O
InChI	InChI=1S/C15H8Cl3NO3/c16-11-2-1-3-12(17)10(11)5-7-15(20)9-4-6-13(18)14(8-9)19(21)22/h1-8H
InChIK	WKVXLCQNKHKPPQ-UHFFFAOYSA-N
TotalMolweight	356.592
Molweight	356.592
MonoisotopicMass	354.956975
CLogP	4.2002
CLogS	-6.508
H Acceptors	4
TotalSurfaceArea	247.2
Relative PSA	0.17581
PolarSurfaceArea	62.89
Druglikeness	-4.945
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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