4-amino-N'-[(Z)-anthracen-9-ylmethylideneamino]-1,2,5-oxadiazole-3-carboximidamide

Formula:C18H14N6O Mutagenic:high Tumorigenic:high Reproductive Effective:low 4-amino-N'-[(Z)-anthracen-9-ylmethylideneamino]-1,2,5-oxadiazole-3-carboximidamide is a drug-like molecule.

MolName	4-amino-N'-[(Z)-anthracen-9-ylmethylideneamino]-1,2,5-oxadiazole-3-carboximidamide
MolecularFormula	C18H14N6O
Smiles	N/C(/c1nonc1N)=N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C18H14N6O/c19-17(16-18(20)24-25-23-16)22-21-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H2,19,22)(H2,20,24)
InChIK	VMQMQKDQQOJKKH-UHFFFAOYSA-N
TotalMolweight	330.35
Molweight	330.35
MonoisotopicMass	330.122909
CLogP	4.5678
CLogS	-5.977
H Acceptors	7
H Donors	2
TotalSurfaceArea	254.2
Relative PSA	0.35252
PolarSurfaceArea	115.68
Druglikeness	2.5525
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions	dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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1 - 4-amino-N'-[(Z)-anthracen-9-ylmethylideneamino]-1,2,5-oxadiazole-3-carboximidamide | 2 - 4-amino-N'-[(Z)-anthracen-9-ylmethylideneamino]-1,2,5-oxadiazole-3-carboximidamide

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