(NZ)-N-[(E)-2-(4-chlorophenyl)sulfonyl-4-phenylbut-3-enylidene]hydroxylamine
Formula:C16H14NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(E)-2-(4-chlorophenyl)sulfonyl-4-phenylbut-3-enylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(E)-2-(4-chlorophenyl)sulfonyl-4-phenylbut-3-enylidene]hydroxylamine |
| MolecularFormula | C16H14NO3ClS |
| Smiles | O/N=C\C(/C=C/c1ccccc1)S(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C16H14ClNO3S/c17-14-7-10-15(11-8-14)22(20,21)16(12-18-19)9-6-13-4-2-1-3-5-13/h1-12,16,19H/b9-6?,18-12-/t16-/m0/s1 |
| InChIK | XUSCYBUGACJACX-JLDWMBJUSA-N |
| TotalMolweight | 335.81 |
| Molweight | 335.81 |
| MonoisotopicMass | 335.038291 |
| CLogP | 3.4264 |
| CLogS | -4.82 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.13 |
| Relative PSA | 0.21523 |
| PolarSurfaceArea | 75.11 |
| Druglikeness | 0.24077 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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