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

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

MolName	3-[5-[(Z)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoic acid
MolecularFormula	C17H11N3O7
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C\c2ccc(-c3cc(C(O)=O)ccc3)o2)NC1=O)=O
InChI	InChI=1S/C17H11N3O7/c21-15-14(20(25)26)12(18-17(24)19-15)6-4-11-5-7-13(27-11)9-2-1-3-10(8-9)16(22)23/h1-8H,(H,22,23)(H2,18,19,21,24)
InChIK	LFLKMCIKENDCDD-UHFFFAOYSA-N
TotalMolweight	369.288
Molweight	369.288
MonoisotopicMass	369.059702
CLogP	0.72
CLogS	-4.879
H Acceptors	10
H Donors	3
TotalSurfaceArea	264.82
Relative PSA	0.45189
PolarSurfaceArea	154.46
Druglikeness	-1.6028
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
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	2
Amides	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

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

Request More Details | 3-[5-[(Z)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments