(Z)-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]-10H-anthracen-9-imine
Formula:C27H15N5O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]-10H-anthracen-9-imine is not a drug-like molecule.
| MolName | (Z)-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]-10H-anthracen-9-imine |
| MolecularFormula | C27H15N5O6 |
| Smiles | [O-][N+](c(cc1)cc(/C(/c2cc([N+]([O-])=O)c3)=N/N=C(c4c(C5)cccc4)c4c5cccc4)c1-c2c3[N+]([O-])=O)=O |
| InChI | InChI=1S/C27H15N5O6/c33-30(34)17-9-10-21-22(12-17)27(23-13-18(31(35)36)14-24(25(21)23)32(37)38)29-28-26-19-7-3-1-5-15(19)11-16-6-2-4-8-20(16)26/h1-10,12-14H,11H2 |
| InChIK | IUKHXDTZYAUMLP-UHFFFAOYSA-N |
| TotalMolweight | 505.445 |
| Molweight | 505.445 |
| MonoisotopicMass | 505.102235 |
| CLogP | 5.5463 |
| CLogS | -10.689 |
| H Acceptors | 11 |
| TotalSurfaceArea | 356.25 |
| Relative PSA | 0.32079 |
| PolarSurfaceArea | 162.18 |
| Druglikeness | -5.0285 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine |
| Shape Index | 0.34211 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| AcidicOxygens | 3 |
| StereoCon |
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