(Z)-N-[(Z)-(3-nitrophenyl)methylideneamino]fluoren-9-imine
Formula:C20H13N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[(Z)-(3-nitrophenyl)methylideneamino]fluoren-9-imine is not a drug-like molecule.
| MolName | (Z)-N-[(Z)-(3-nitrophenyl)methylideneamino]fluoren-9-imine |
| MolecularFormula | C20H13N3O2 |
| Smiles | [O-][N+](c1cc(/C=N\N=C2c(cccc3)c3-c3c2cccc3)ccc1)=O |
| InChI | InChI=1S/C20H13N3O2/c24-23(25)15-7-5-6-14(12-15)13-21-22-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-13H |
| InChIK | RBZUVJDUKJDKBE-UHFFFAOYSA-N |
| TotalMolweight | 327.342 |
| Molweight | 327.342 |
| MonoisotopicMass | 327.100777 |
| CLogP | 5.447 |
| CLogS | -7.368 |
| H Acceptors | 5 |
| TotalSurfaceArea | 250.68 |
| Relative PSA | 0.21318 |
| PolarSurfaceArea | 70.54 |
| Druglikeness | -3.5537 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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