6-N-(4-bromophenyl)-5-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

Formula:C17H10N8O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-N-(4-bromophenyl)-5-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-[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)-(2-chloro-5-nitrophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
MolecularFormula	C17H10N8O3BrCl
Smiles	[O-][N+](c(cc1)cc(/C=N\Nc2nc3nonc3nc2Nc(cc2)ccc2Br)c1Cl)=O
InChI	InChI=1S/C17H10BrClN8O3/c18-10-1-3-11(4-2-10)21-14-15(23-17-16(22-14)25-30-26-17)24-20-8-9-7-12(27(28)29)5-6-13(9)19/h1-8H,(H,21,22,25)(H,23,24,26)
InChIK	NWEWTVVXYUIUOZ-UHFFFAOYSA-N
TotalMolweight	489.676
Molweight	489.676
MonoisotopicMass	487.974775
CLogP	5.9984
CLogS	-7.546
H Acceptors	11
H Donors	2
TotalSurfaceArea	317.51
Relative PSA	0.38689
PolarSurfaceArea	146.94
Druglikeness	-3.5153
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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1 - 6-N-(4-bromophenyl)-5-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine | 2 - 6-N-(4-bromophenyl)-5-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

Request More Details | 6-N-(4-bromophenyl)-5-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

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