[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 4-chlorobenzoate

Formula:C19H12N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 4-chlorobenzoate is a drug-like molecule.

MolName	[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 4-chlorobenzoate
MolecularFormula	C19H12N3O6Cl
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)ccc2OC(c(cc2)ccc2Cl)=O)NC1=O)=O
InChI	InChI=1S/C19H12ClN3O6/c20-13-6-4-12(5-7-13)18(25)29-14-8-1-11(2-9-14)3-10-15-16(23(27)28)17(24)22-19(26)21-15/h1-10H,(H2,21,22,24,26)
InChIK	BKNXZYVIRZVSMW-UHFFFAOYSA-N
TotalMolweight	413.772
Molweight	413.772
MonoisotopicMass	413.041464
CLogP	2.3325
CLogS	-5.612
H Acceptors	9
H Donors	2
TotalSurfaceArea	294.2
Relative PSA	0.34827
PolarSurfaceArea	130.32
Druglikeness	-2.7289
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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