2-[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetic acid

Formula:C14H11N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetic acid
MolecularFormula	C14H11N3O7
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)ccc2OCC(O)=O)NC1=O)=O
InChI	InChI=1S/C14H11N3O7/c18-11(19)7-24-9-4-1-8(2-5-9)3-6-10-12(17(22)23)13(20)16-14(21)15-10/h1-6H,7H2,(H,18,19)(H2,15,16,20,21)
InChIK	HLJNIPMFPFDHFQ-UHFFFAOYSA-N
TotalMolweight	333.255
Molweight	333.255
MonoisotopicMass	333.059702
CLogP	-0.644
CLogS	-3.199
H Acceptors	10
H Donors	3
TotalSurfaceArea	239.13
Relative PSA	0.48325
PolarSurfaceArea	150.55
Druglikeness	-2.5014
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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