(E)-3-(3,4-dichlorophenyl)-1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-en-1-one

Formula:C20H12N2O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,4-dichlorophenyl)-1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3,4-dichlorophenyl)-1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-en-1-one
MolecularFormula	C20H12N2O3Cl2S
Smiles	[O-][N+](c(cc(cc1)C(/C=C/c(cc2)cc(Cl)c2Cl)=O)c1Sc1ncccc1)=O
InChI	InChI=1S/C20H12Cl2N2O3S/c21-15-7-4-13(11-16(15)22)5-8-18(25)14-6-9-19(17(12-14)24(26)27)28-20-3-1-2-10-23-20/h1-12H
InChIK	KSBYPNSCAAKEAS-UHFFFAOYSA-N
TotalMolweight	431.298
Molweight	431.298
MonoisotopicMass	429.994567
CLogP	4.5118
CLogS	-6.526
H Acceptors	5
TotalSurfaceArea	307.79
Relative PSA	0.23367
PolarSurfaceArea	101.08
Druglikeness	-4.2811
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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