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

Formula:C17H10N3O7Cl Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-chloro-4-[5-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	2-chloro-4-[5-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoic acid
MolecularFormula	C17H10N3O7Cl
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2ccc(-c(cc3)cc(Cl)c3C(O)=O)o2)NC1=O)=O
InChI	InChI=1S/C17H10ClN3O7/c18-11-7-8(1-4-10(11)16(23)24)13-6-3-9(28-13)2-5-12-14(21(26)27)15(22)20-17(25)19-12/h1-7H,(H,23,24)(H2,19,20,22,25)
InChIK	JXXCOXAGQKJLCL-UHFFFAOYSA-N
TotalMolweight	403.733
Molweight	403.733
MonoisotopicMass	403.020729
CLogP	1.326
CLogS	-5.615
H Acceptors	10
H Donors	3
TotalSurfaceArea	280.24
Relative PSA	0.42703
PolarSurfaceArea	154.46
Druglikeness	-1.5272
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	2
AcidicOxygens	2
StereoCon

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