4-amino-N'-[(3-prop-2-ynoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

Formula:C13H12N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N'-[(3-prop-2-ynoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is a drug-like molecule.

MolName	4-amino-N'-[(3-prop-2-ynoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
MolecularFormula	C13H12N6O2
Smiles	C#CCOc1cccc(C=N/N=C(\c2nonc2N)/N)c1
InChI	InChI=1S/C13H12N6O2/c1-2-6-20-10-5-3-4-9(7-10)8-16-17-12(14)11-13(15)19-21-18-11/h1,3-5,7-8H,6H2,(H2,14,17)(H2,15,19)
InChIK	FINTURMMPYNOFT-UHFFFAOYSA-N
TotalMolweight	284.278
Molweight	284.278
MonoisotopicMass	284.102174
CLogP	2.1362
CLogS	-3.407
H Acceptors	8
H Donors	2
TotalSurfaceArea	232.57
Relative PSA	0.4283
PolarSurfaceArea	124.91
Druglikeness	2.1621
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Aromatic Nitrogens	2
StereoCon

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1 - 4-amino-N'-[(3-prop-2-ynoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide | 2 - 4-amino-N'-[(3-prop-2-ynoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

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