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

Formula:C19H11N3O6Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 2,4-dichlorobenzoate is a drug-like molecule.

MolName	[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 2,4-dichlorobenzoate
MolecularFormula	C19H11N3O6Cl2
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)ccc2OC(c(ccc(Cl)c2)c2Cl)=O)NC1=O)=O
InChI	InChI=1S/C19H11Cl2N3O6/c20-11-4-7-13(14(21)9-11)18(26)30-12-5-1-10(2-6-12)3-8-15-16(24(28)29)17(25)23-19(27)22-15/h1-9H,(H2,22,23,25,27)
InChIK	SXYVLYJOCSIFHR-UHFFFAOYSA-N
TotalMolweight	448.217
Molweight	448.217
MonoisotopicMass	447.002491
CLogP	2.9385
CLogS	-6.348
H Acceptors	9
H Donors	2
TotalSurfaceArea	309.62
Relative PSA	0.33092
PolarSurfaceArea	130.32
Druglikeness	-2.7289
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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