3-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione

Formula:C10H6N8O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione is not a drug-like molecule.

MolName	3-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
MolecularFormula	C10H6N8O5
Smiles	[O-][N+](c1ccc(C=NNc(nc2NC(N3)=O)nnc2C3=O)o1)=O
InChI	InChI=1S/C10H6N8O5/c19-8-6-7(13-10(20)14-8)12-9(17-15-6)16-11-3-4-1-2-5(23-4)18(21)22/h1-3H,(H3,12,13,14,16,17,19,20)
InChIK	KLYIHEUFYSXCCD-UHFFFAOYSA-N
TotalMolweight	318.209
Molweight	318.209
MonoisotopicMass	318.046117
CLogP	0.6946
CLogS	-4.068
H Acceptors	13
H Donors	3
TotalSurfaceArea	223.8
Relative PSA	0.6676
PolarSurfaceArea	180.22
Druglikeness	2.3005
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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