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

Formula:C16H9N4O7Cl Mutagenic:low Tumorigenic:high Reproductive Effective:none 6-[(E)-2-[5-(3-chloro-4-nitrophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is not a drug-like molecule.

MolName	6-[(E)-2-[5-(3-chloro-4-nitrophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C16H9N4O7Cl
Smiles	[O-][N+](c(ccc(-c1ccc(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)o1)c1)c1Cl)=O
InChI	InChI=1S/C16H9ClN4O7/c17-10-7-8(1-5-12(10)20(24)25)13-6-3-9(28-13)2-4-11-14(21(26)27)15(22)19-16(23)18-11/h1-7H,(H2,18,19,22,23)
InChIK	GAICREDZDTXHPK-UHFFFAOYSA-N
TotalMolweight	404.721
Molweight	404.721
MonoisotopicMass	404.015978
CLogP	0.9193
CLogS	-6.062
H Acceptors	11
H Donors	2
TotalSurfaceArea	279.81
Relative PSA	0.44298
PolarSurfaceArea	162.98
Druglikeness	-1.5465
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	2
AcidicOxygens	2
StereoCon

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