(NZ)-N-(pyren-4-ylmethylidene)hydroxylamine
Formula:C17H11NO
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-(pyren-4-ylmethylidene)hydroxylamine is not a drug-like molecule.
| MolName | (NZ)-N-(pyren-4-ylmethylidene)hydroxylamine |
| MolecularFormula | C17H11NO |
| Smiles | O/N=C\c(c1ccc2)cc3cccc4ccc2c1c34 |
| InChI | InChI=1S/C17H11NO/c19-18-10-14-9-13-5-1-3-11-7-8-12-4-2-6-15(14)17(12)16(11)13/h1-10,19H |
| InChIK | JXQABKKHJONTMZ-UHFFFAOYSA-N |
| TotalMolweight | 245.28 |
| Molweight | 245.28 |
| MonoisotopicMass | 245.084064 |
| CLogP | 5.2443 |
| CLogS | -6.771 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 183.75 |
| Relative PSA | 0.13393 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -0.95128 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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