(NZ)-N-[(E)-2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine
Formula:C16H15NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(E)-2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(E)-2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine |
| MolecularFormula | C16H15NO3S |
| Smiles | O/N=C\C(/C=C/c1ccccc1)S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C16H15NO3S/c18-17-13-16(12-11-14-7-3-1-4-8-14)21(19,20)15-9-5-2-6-10-15/h1-13,16,18H/b12-11?,17-13-/t16-/m0/s1 |
| InChIK | RSFXRQKFVUEUFL-NRNZXYJHSA-N |
| TotalMolweight | 301.365 |
| Molweight | 301.365 |
| MonoisotopicMass | 301.077264 |
| CLogP | 2.8204 |
| CLogS | -4.084 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 231.71 |
| Relative PSA | 0.22955 |
| PolarSurfaceArea | 75.11 |
| Druglikeness | -8.8684 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon | racemate |
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