(NE)-N-[2-[2-(4-chlorophenyl)sulfonylethyl]cyclohexylidene]hydroxylamine
Formula:C14H18NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[2-[2-(4-chlorophenyl)sulfonylethyl]cyclohexylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[2-[2-(4-chlorophenyl)sulfonylethyl]cyclohexylidene]hydroxylamine |
| MolecularFormula | C14H18NO3ClS |
| Smiles | O/N=C1/C(CCS(c(cc2)ccc2Cl)(=O)=O)CCCC1 |
| InChI | InChI=1S/C14H18ClNO3S/c15-12-5-7-13(8-6-12)20(18,19)10-9-11-3-1-2-4-14(11)16-17/h5-8,11,17H,1-4,9-10H2/b16-14+/t11-/m1/s1 |
| InChIK | BPOMCWLRJKMDTJ-KTEBKFLVSA-N |
| TotalMolweight | 315.82 |
| Molweight | 315.82 |
| MonoisotopicMass | 315.069591 |
| CLogP | 3.4761 |
| CLogS | -4.624 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 228.14 |
| Relative PSA | 0.23315 |
| PolarSurfaceArea | 75.11 |
| Druglikeness | -7.7978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| StereoCon | racemate |
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1 - (NE)-N-[2-[2-(4-chlorophenyl)sulfonylethyl]cyclohexylidene]hydroxylamine | 2 - (NE)-N-[2-[2-(4-chlorophenyl)sulfonylethyl]cyclohexylidene]hydroxylamine
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