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

Formula:C23H15N3O6 Mutagenic:low Tumorigenic:high Reproductive Effective:none [4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] naphthalene-1-carboxylate is a drug-like molecule.

MolName	[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] naphthalene-1-carboxylate
MolecularFormula	C23H15N3O6
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)ccc2OC(c2cccc3ccccc23)=O)NC1=O)=O
InChI	InChI=1S/C23H15N3O6/c27-21-20(26(30)31)19(24-23(29)25-21)13-10-14-8-11-16(12-9-14)32-22(28)18-7-3-5-15-4-1-2-6-17(15)18/h1-13H,(H2,24,25,27,29)
InChIK	KKGSJPBPUBGITL-UHFFFAOYSA-N
TotalMolweight	429.387
Molweight	429.387
MonoisotopicMass	429.096087
CLogP	2.9209
CLogS	-6.482
H Acceptors	9
H Donors	2
TotalSurfaceArea	313.38
Relative PSA	0.32695
PolarSurfaceArea	130.32
Druglikeness	-2.815
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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