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

Formula:C21H12N8O4ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-6-N-(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is not a drug-like molecule.
MolName5-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-6-N-(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
MolecularFormulaC21H12N8O4ClF
Smiles[O-][N+](c(cc(cc1)-c2ccc(/C=N\Nc3nc4nonc4nc3Nc(cc3)ccc3F)o2)c1Cl)=O
InChIInChI=1S/C21H12ClFN8O4/c22-15-7-1-11(9-16(15)31(32)33)17-8-6-14(34-17)10-24-28-19-18(25-13-4-2-12(23)3-5-13)26-20-21(27-19)30-35-29-20/h1-10H,(H,25,26,29)(H,27,28,30)
InChIKJGNIZCBDGUWOEP-UHFFFAOYSA-N
TotalMolweight494.829
Molweight494.829
MonoisotopicMass494.065407
CLogP6.3129
CLogS-8.486
H Acceptors12
H Donors2
TotalSurfaceArea354.68
Relative PSA0.38612
PolarSurfaceArea160.08
Druglikeness-0.9613
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.54286
Fragments1
Non HAtoms35
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms26
Sp3Atoms1
Symmetricatoms2
Aromatic Nitrogens4
AcidicOxygens1
StereoCon

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