6-N-(4-fluorophenyl)-5-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
Molecular Formula : C21H13N8O4F | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |6-N-(4-fluorophenyl)-5-N-[(Z)-[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-[(Z)-[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 : |