(NZ)-N-[[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylidene]hydroxylamine
Formula:C17H13N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NZ)-N-[[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylidene]hydroxylamine |
| MolecularFormula | C17H13N2OClS |
| Smiles | O/N=C\c1cc2ccccc2nc1SCc(cc1)ccc1Cl |
| InChI | InChI=1S/C17H13ClN2OS/c18-15-7-5-12(6-8-15)11-22-17-14(10-19-21)9-13-3-1-2-4-16(13)20-17/h1-10,21H,11H2 |
| InChIK | ZMFUNBANYCYMOW-UHFFFAOYSA-N |
| TotalMolweight | 328.822 |
| Molweight | 328.822 |
| MonoisotopicMass | 328.04371 |
| CLogP | 5.1951 |
| CLogS | -5.949 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 244.16 |
| Relative PSA | 0.21736 |
| PolarSurfaceArea | 70.78 |
| Druglikeness | -0.13342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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