N-[(Z)-benzylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide
Formula:C15H14N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide |
| MolecularFormula | C15H14N4O5S |
| Smiles | [O-][N+](c(cc1)ccc1S(NCC(N/N=C\c1ccccc1)=O)(=O)=O)=O |
| InChI | InChI=1S/C15H14N4O5S/c20-15(18-16-10-12-4-2-1-3-5-12)11-17-25(23,24)14-8-6-13(7-9-14)19(21)22/h1-10,17H,11H2,(H,18,20) |
| InChIK | XOGVFZYMZYSNTL-UHFFFAOYSA-N |
| TotalMolweight | 362.365 |
| Molweight | 362.365 |
| MonoisotopicMass | 362.068491 |
| CLogP | 1.0503 |
| CLogS | -3.496 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 264.46 |
| Relative PSA | 0.40259 |
| PolarSurfaceArea | 141.83 |
| Druglikeness | -3.0114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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