1,3-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea

Formula:C11H8N6O7 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1,3-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea is not a drug-like molecule.

MolName	1,3-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea
MolecularFormula	C11H8N6O7
Smiles	[O-][N+](c1ccc(/C=N\NC(N/N=C\c2ccc([N+]([O-])=O)o2)=O)o1)=O
InChI	InChI=1S/C11H8N6O7/c18-11(14-12-5-7-1-3-9(23-7)16(19)20)15-13-6-8-2-4-10(24-8)17(21)22/h1-6H,(H2,14,15,18)
InChIK	UUVQUGBOOQEKFH-UHFFFAOYSA-N
TotalMolweight	336.22
Molweight	336.22
MonoisotopicMass	336.045449
CLogP	0.827
CLogS	-6.164
H Acceptors	13
H Donors	2
TotalSurfaceArea	249.93
Relative PSA	0.59233
PolarSurfaceArea	183.77
Druglikeness	2.322
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Symmetricatoms	11
AcidicOxygens	2
StereoCon

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