(Z)-(2,4,7-trinitrofluoren-9-ylidene)hydrazine
Formula:C13H7N5O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-(2,4,7-trinitrofluoren-9-ylidene)hydrazine is not a drug-like molecule.
| MolName | (Z)-(2,4,7-trinitrofluoren-9-ylidene)hydrazine |
| MolecularFormula | C13H7N5O6 |
| Smiles | N/N=C1\c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2-c(cc2)c1cc2[N+]([O-])=O |
| InChI | InChI=1S/C13H7N5O6/c14-15-13-9-3-6(16(19)20)1-2-8(9)12-10(13)4-7(17(21)22)5-11(12)18(23)24/h1-5H,14H2 |
| InChIK | QOSUSOXKSIHHMF-UHFFFAOYSA-N |
| TotalMolweight | 329.228 |
| Molweight | 329.228 |
| MonoisotopicMass | 329.039635 |
| CLogP | 0.385 |
| CLogS | -6.549 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 222.02 |
| Relative PSA | 0.53166 |
| PolarSurfaceArea | 175.84 |
| Druglikeness | -8.0275 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 3 |
| StereoCon |
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