(NE)-N-[(2E,4E)-1,5-diphenylpenta-2,4-dienylidene]hydroxylamine
Formula:C17H15NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(2E,4E)-1,5-diphenylpenta-2,4-dienylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(2E,4E)-1,5-diphenylpenta-2,4-dienylidene]hydroxylamine |
| MolecularFormula | C17H15NO |
| Smiles | O/N=C(\C=C\C=C\c1ccccc1)/c1ccccc1 |
| InChI | InChI=1S/C17H15NO/c19-18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-14,19H |
| InChIK | GTSKLTUOZBOQHK-UHFFFAOYSA-N |
| TotalMolweight | 249.312 |
| Molweight | 249.312 |
| MonoisotopicMass | 249.115364 |
| CLogP | 4.5818 |
| CLogS | -4.527 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 215.34 |
| Relative PSA | 0.11428 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -0.81787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (NE)-N-[(2E,4E)-1,5-diphenylpenta-2,4-dienylidene]hydroxylamine | 2 - (NE)-N-[(2E,4E)-1,5-diphenylpenta-2,4-dienylidene]hydroxylamine
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