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

Formula:C15H9NO3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,4-dichlorophenyl)-1-(2-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3,4-dichlorophenyl)-1-(2-nitrophenyl)prop-2-en-1-one
MolecularFormula	C15H9NO3Cl2
Smiles	[O-][N+](c(cccc1)c1C(/C=C/c(cc1)cc(Cl)c1Cl)=O)=O
InChI	InChI=1S/C15H9Cl2NO3/c16-12-7-5-10(9-13(12)17)6-8-15(19)11-3-1-2-4-14(11)18(20)21/h1-9H
InChIK	HPPIWTKQJMZDFB-UHFFFAOYSA-N
TotalMolweight	322.146
Molweight	322.146
MonoisotopicMass	320.995948
CLogP	3.5942
CLogS	-5.772
H Acceptors	4
TotalSurfaceArea	231.78
Relative PSA	0.18751
PolarSurfaceArea	62.89
Druglikeness	-4.945
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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