2-hydroxy-5-[[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl]methylideneamino]benzoic acid

Formula:C20H14N4O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-hydroxy-5-[[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl]methylideneamino]benzoic acid is not a drug-like molecule.

MolName	2-hydroxy-5-[[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl]methylideneamino]benzoic acid
MolecularFormula	C20H14N4O7
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2ccc(/C=N/c(cc3)cc(C(O)=O)c3O)cc2)NC1=O)=O
InChI	InChI=1S/C20H14N4O7/c25-16-8-6-13(9-14(16)19(27)28)21-10-12-3-1-11(2-4-12)5-7-15-17(24(30)31)18(26)23-20(29)22-15/h1-10,25H,(H,27,28)(H2,22,23,26,29)
InChIK	AXDDCBDGJUHDBK-UHFFFAOYSA-N
TotalMolweight	422.352
Molweight	422.352
MonoisotopicMass	422.086251
CLogP	0.8092
CLogS	-4.665
H Acceptors	11
H Donors	4
TotalSurfaceArea	306.24
Relative PSA	0.42506
PolarSurfaceArea	173.91
Druglikeness	-2.3979
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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1 - 2-hydroxy-5-[[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl]methylideneamino]benzoic acid | 2 - 2-hydroxy-5-[[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl]methylideneamino]benzoic acid

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