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

Formula:C10H10N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-benzylideneamino]urea is a drug-like molecule.

MolName1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-benzylideneamino]urea
MolecularFormulaC10H10N6O2
SmilesNc1nonc1NC(N/N=C/c1ccccc1)=O
InChIInChI=1S/C10H10N6O2/c11-8-9(16-18-15-8)13-10(17)14-12-6-7-4-2-1-3-5-7/h1-6H,(H2,11,15)(H2,13,14,16,17)
InChIKRUDZVKMNJVXWOV-UHFFFAOYSA-N
TotalMolweight246.229
Molweight246.229
MonoisotopicMass246.086524
CLogP1.7323
CLogS-3.606
H Acceptors8
H Donors3
TotalSurfaceArea194.18
Relative PSA0.50875
PolarSurfaceArea118.43
Druglikeness4.8303
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms18
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoCon

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