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

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

MolName	2-chloro-4-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid
MolecularFormula	C17H10N3O7Cl
Smiles	[O-][N+](C(C(NC(/C=C/c1ccc(-c(cc2)cc(Cl)c2C(O)=O)o1)=N1)=O)=C1O)=O
InChI	InChI=1S/C17H10ClN3O7/c18-11-7-8(1-4-10(11)17(24)25)12-5-2-9(28-12)3-6-13-19-15(22)14(21(26)27)16(23)20-13/h1-7H,(H,24,25)(H2,19,20,22,23)
InChIK	HXOAKJKRZHYZEY-UHFFFAOYSA-N
TotalMolweight	403.733
Molweight	403.733
MonoisotopicMass	403.020729
CLogP	0.9495
CLogS	-6.227
H Acceptors	10
H Donors	3
TotalSurfaceArea	280.35
Relative PSA	0.42725
PolarSurfaceArea	157.95
Druglikeness	-1.2983
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.60714
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	3
Amides	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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