(Z)-2,4,7-trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine
Formula:C26H10N8O12
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-2,4,7-trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine is not a drug-like molecule.
| MolName | (Z)-2,4,7-trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine |
| MolecularFormula | C26H10N8O12 |
| Smiles | [O-][N+](c(cc1)cc2c1-c(c([N+]([O-])=O)cc([N+]([O-])=O)c1)c1/C2=N\N=C1/c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2-c(cc2)c1cc2[N+]([O-])=O)=O |
| InChI | InChI=1S/C26H10N8O12/c35-29(36)11-1-3-15-17(5-11)25(19-7-13(31(39)40)9-21(23(15)19)33(43)44)27-28-26-18-6-12(30(37)38)2-4-16(18)24-20(26)8-14(32(41)42)10-22(24)34(45)46/h1-10H |
| InChIK | DRNIVEDTEVAGKO-UHFFFAOYSA-N |
| TotalMolweight | 626.409 |
| Molweight | 626.409 |
| MonoisotopicMass | 626.041822 |
| CLogP | 2.422 |
| CLogS | -12.444 |
| H Acceptors | 20 |
| TotalSurfaceArea | 413.5 |
| Relative PSA | 0.49707 |
| PolarSurfaceArea | 299.64 |
| Druglikeness | -4.9109 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine |
| Shape Index | 0.30435 |
| Fragments | 1 |
| Non HAtoms | 46 |
| NonCHAtoms | 20 |
| Electronegative Atoms | 20 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 23 |
| AcidicOxygens | 6 |
| StereoCon |
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1 - (Z)-2,4,7-trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine | 2 - (Z)-2,4,7-trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine
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