6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C12H7N3O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C12H7N3O4ClF
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(c(F)ccc2)c2Cl)NC1=O)=O
InChI	InChI=1S/C12H7ClFN3O4/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	QUAVYQNTSIDDLR-UHFFFAOYSA-N
TotalMolweight	311.656
Molweight	311.656
MonoisotopicMass	311.010912
CLogP	1.0028
CLogS	-4.456
H Acceptors	7
H Donors	2
TotalSurfaceArea	213.04
Relative PSA	0.37279
PolarSurfaceArea	104.02
Druglikeness	-4.1456
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
Amides	2
AcidicOxygens	1
StereoCon

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