6-[(Z)-2-(2,6-dichlorophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

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

MolName	6-[(Z)-2-(2,6-dichlorophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H7N3O4Cl2
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C\c(c(Cl)ccc2)c2Cl)NC1=O)=O
InChI	InChI=1S/C12H7Cl2N3O4/c13-7-2-1-3-8(14)6(7)4-5-9-10(17(20)21)11(18)16-12(19)15-9/h1-5H,(H2,15,16,18,19)
InChIK	ZFJCYZPRAKKZGC-UHFFFAOYSA-N
TotalMolweight	328.111
Molweight	328.111
MonoisotopicMass	326.981361
CLogP	1.508
CLogS	-4.878
H Acceptors	7
H Donors	2
TotalSurfaceArea	222.11
Relative PSA	0.35757
PolarSurfaceArea	104.02
Druglikeness	-2.8056
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47619
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	1
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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