(NE)-2-chloro-N-[morpholin-4-yl(phenyl)methylidene]-5-nitrobenzenesulfonamide
Formula:C17H16N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-2-chloro-N-[morpholin-4-yl(phenyl)methylidene]-5-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | (NE)-2-chloro-N-[morpholin-4-yl(phenyl)methylidene]-5-nitrobenzenesulfonamide |
| MolecularFormula | C17H16N3O5ClS |
| Smiles | [O-][N+](c(cc1)cc(S(/N=C(\c2ccccc2)/N2CCOCC2)(=O)=O)c1Cl)=O |
| InChI | InChI=1S/C17H16ClN3O5S/c18-15-7-6-14(21(22)23)12-16(15)27(24,25)19-17(13-4-2-1-3-5-13)20-8-10-26-11-9-20/h1-7,12H,8-11H2 |
| InChIK | GZBQCGZTSDKLPY-UHFFFAOYSA-N |
| TotalMolweight | 409.849 |
| Molweight | 409.849 |
| MonoisotopicMass | 409.049919 |
| CLogP | 1.9228 |
| CLogS | -3.614 |
| H Acceptors | 8 |
| TotalSurfaceArea | 285.5 |
| Relative PSA | 0.29443 |
| PolarSurfaceArea | 113.17 |
| Druglikeness | -3.9919 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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