6-N-(4-bromophenyl)-5-N-[(Z)-furan-2-ylmethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

Formula:C15H10N7O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-N-(4-bromophenyl)-5-N-[(Z)-furan-2-ylmethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is not a drug-like molecule.

MolName	6-N-(4-bromophenyl)-5-N-[(Z)-furan-2-ylmethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
MolecularFormula	C15H10N7O2Br
Smiles	Brc(cc1)ccc1Nc1nc2nonc2nc1N/N=C\c1ccco1
InChI	InChI=1S/C15H10BrN7O2/c16-9-3-5-10(6-4-9)18-12-13(20-15-14(19-12)22-25-23-15)21-17-8-11-2-1-7-24-11/h1-8H,(H,18,19,22)(H,20,21,23)
InChIK	BKHKSKIDASSXQH-UHFFFAOYSA-N
TotalMolweight	400.195
Molweight	400.195
MonoisotopicMass	399.007934
CLogP	5.5027
CLogS	-6.032
H Acceptors	9
H Donors	2
TotalSurfaceArea	268.11
Relative PSA	0.39734
PolarSurfaceArea	114.26
Druglikeness	1.3825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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