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

Formula:C21H13N8O4F Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-N-(4-fluorophenyl)-5-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is not a drug-like molecule.

MolName	6-N-(4-fluorophenyl)-5-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
MolecularFormula	C21H13N8O4F
Smiles	[O-][N+](c1cccc(-c2ccc(/C=N/Nc3nc4nonc4nc3Nc(cc3)ccc3F)o2)c1)=O
InChI	InChI=1S/C21H13FN8O4/c22-13-4-6-14(7-5-13)24-18-19(26-21-20(25-18)28-34-29-21)27-23-11-16-8-9-17(33-16)12-2-1-3-15(10-12)30(31)32/h1-11H,(H,24,25,28)(H,26,27,29)
InChIK	RYORQYLWKMKTHR-UHFFFAOYSA-N
TotalMolweight	460.384
Molweight	460.384
MonoisotopicMass	460.10438
CLogP	5.7069
CLogS	-7.75
H Acceptors	12
H Donors	2
TotalSurfaceArea	339.26
Relative PSA	0.40367
PolarSurfaceArea	160.08
Druglikeness	-0.99742
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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1 - 6-N-(4-fluorophenyl)-5-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine | 2 - 6-N-(4-fluorophenyl)-5-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

Request More Details | 6-N-(4-fluorophenyl)-5-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

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