N-[(Z)-(3-nitrophenyl)methylideneamino]-9H-fluorene-9-carboxamide
Formula:C21H15N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-9H-fluorene-9-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-9H-fluorene-9-carboxamide |
| MolecularFormula | C21H15N3O3 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C2c(cccc3)c3-c3c2cccc3)=O)ccc1)=O |
| InChI | InChI=1S/C21H15N3O3/c25-21(23-22-13-14-6-5-7-15(12-14)24(26)27)20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-13,20H,(H,23,25) |
| InChIK | BZAVAHGXFGYZFJ-UHFFFAOYSA-N |
| TotalMolweight | 357.368 |
| Molweight | 357.368 |
| MonoisotopicMass | 357.111342 |
| CLogP | 3.187 |
| CLogS | -6.295 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 269.42 |
| Relative PSA | 0.24657 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.0095932 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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