(Z)-pyren-1-ylmethylidenehydrazine
Formula:C17H12N2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-pyren-1-ylmethylidenehydrazine is a drug-like molecule.
| MolName | (Z)-pyren-1-ylmethylidenehydrazine |
| MolecularFormula | C17H12N2 |
| Smiles | N/N=C\c1ccc(ccc2ccc3)c4c2c3ccc14 |
| InChI | InChI=1S/C17H12N2/c18-19-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H,18H2 |
| InChIK | AIYIPTFRVFQOMC-UHFFFAOYSA-N |
| TotalMolweight | 244.296 |
| Molweight | 244.296 |
| MonoisotopicMass | 244.100048 |
| CLogP | 4.5968 |
| CLogS | -6.849 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 185.92 |
| Relative PSA | 0.14404 |
| PolarSurfaceArea | 38.38 |
| Druglikeness | -2.3346 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| 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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