2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one

Formula:C12H7N3O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one is a drug-like molecule.

MolName	2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
MolecularFormula	C12H7N3O4Cl2
Smiles	[O-][N+](C(C(NC(/C=C/c(c(Cl)ccc1)c1Cl)=N1)=O)=C1O)=O
InChI	InChI=1S/C12H7Cl2N3O4/c13-7-2-1-3-8(14)6(7)4-5-9-15-11(18)10(17(20)21)12(19)16-9/h1-5H,(H2,15,16,18,19)
InChIK	GLOXVSWPXMEYNI-UHFFFAOYSA-N
TotalMolweight	328.111
Molweight	328.111
MonoisotopicMass	326.981361
CLogP	1.1315
CLogS	-5.49
H Acceptors	7
H Donors	2
TotalSurfaceArea	222.22
Relative PSA	0.35789
PolarSurfaceArea	107.51
Druglikeness	-2.4881
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	3
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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