(E)-1-(2,5-dichlorophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one

Formula:C19H11N3O3Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-1-(2,5-dichlorophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2,5-dichlorophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one
MolecularFormula	C19H11N3O3Cl2S
Smiles	[O-][N+](c(cc(/C=C/C(c(cc(cc1)Cl)c1Cl)=O)cc1)c1Sc1ncccn1)=O
InChI	InChI=1S/C19H11Cl2N3O3S/c20-13-4-5-15(21)14(11-13)17(25)6-2-12-3-7-18(16(10-12)24(26)27)28-19-22-8-1-9-23-19/h1-11H
InChIK	YGWPNMBKQYDKMF-UHFFFAOYSA-N
TotalMolweight	432.286
Molweight	432.286
MonoisotopicMass	430.989816
CLogP	4.0942
CLogS	-6.323
H Acceptors	6
TotalSurfaceArea	306.55
Relative PSA	0.2704
PolarSurfaceArea	113.97
Druglikeness	-4.2811
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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