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

Formula:C17H10N8O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-6-N-(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is not a drug-like molecule.

MolName	5-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-6-N-(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
MolecularFormula	C17H10N8O3ClF
Smiles	[O-][N+](c(cc(/C=N\Nc1nc2nonc2nc1Nc(cc1)ccc1F)cc1)c1Cl)=O
InChI	InChI=1S/C17H10ClFN8O3/c18-12-6-1-9(7-13(12)27(28)29)8-20-24-15-14(21-11-4-2-10(19)3-5-11)22-16-17(23-15)26-30-25-16/h1-8H,(H,21,22,25)(H,23,24,26)
InChIK	ZBOHYBVHHWFCGH-UHFFFAOYSA-N
TotalMolweight	428.77
Molweight	428.77
MonoisotopicMass	428.054842
CLogP	5.374
CLogS	-7.026
H Acceptors	11
H Donors	2
TotalSurfaceArea	305.23
Relative PSA	0.40245
PolarSurfaceArea	146.94
Druglikeness	-3.0653
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 - 5-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-6-N-(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine | 2 - 5-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-6-N-(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

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