3-[5-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid

Formula:C17H11N3O7 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	3-[5-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid
MolecularFormula	C17H11N3O7
Smiles	[O-][N+](C(C(NC(/C=C\c1ccc(-c2cc(C(O)=O)ccc2)o1)=N1)=O)=C1O)=O
InChI	InChI=1S/C17H11N3O7/c21-15-14(20(25)26)16(22)19-13(18-15)7-5-11-4-6-12(27-11)9-2-1-3-10(8-9)17(23)24/h1-8H,(H,23,24)(H2,18,19,21,22)
InChIK	HHGFZWVOJVIELD-UHFFFAOYSA-N
TotalMolweight	369.288
Molweight	369.288
MonoisotopicMass	369.059702
CLogP	0.3435
CLogS	-5.491
H Acceptors	10
H Donors	3
TotalSurfaceArea	264.93
Relative PSA	0.45212
PolarSurfaceArea	157.95
Druglikeness	-1.37
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
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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