1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(4-nitrophenyl)methylideneamino]urea

Formula:C10H9N7O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(4-nitrophenyl)methylideneamino]urea is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(4-nitrophenyl)methylideneamino]urea
MolecularFormula	C10H9N7O4
Smiles	Nc1nonc1NC(N/N=C/c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C10H9N7O4/c11-8-9(16-21-15-8)13-10(18)14-12-5-6-1-3-7(4-2-6)17(19)20/h1-5H,(H2,11,15)(H2,13,14,16,18)
InChIK	UDLHURYLVFUMGG-UHFFFAOYSA-N
TotalMolweight	291.226
Molweight	291.226
MonoisotopicMass	291.071603
CLogP	0.8107
CLogS	-4.066
H Acceptors	11
H Donors	3
TotalSurfaceArea	217.85
Relative PSA	0.59311
PolarSurfaceArea	164.25
Druglikeness	-0.27126
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(4-nitrophenyl)methylideneamino]urea | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(4-nitrophenyl)methylideneamino]urea

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