6-[(E)-2-(2,6-dichloro-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C12H6N4O6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(2,6-dichloro-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(2,6-dichloro-3-nitrophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H6N4O6Cl2
Smiles	[O-][N+](c(ccc(Cl)c1/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)c1Cl)=O
InChI	InChI=1S/C12H6Cl2N4O6/c13-6-2-4-8(17(21)22)9(14)5(6)1-3-7-10(18(23)24)11(19)16-12(20)15-7/h1-4H,(H2,15,16,19,20)
InChIK	DCRSNCORIKOEQT-UHFFFAOYSA-N
TotalMolweight	373.108
Molweight	373.108
MonoisotopicMass	371.96644
CLogP	0.5864
CLogS	-5.338
H Acceptors	10
H Donors	2
TotalSurfaceArea	245.78
Relative PSA	0.4469
PolarSurfaceArea	149.84
Druglikeness	-2.8056
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	2
AcidicOxygens	2
StereoCon

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