N-[(Z)-benzylideneamino]-3-[(4-nitrophenyl)sulfonylamino]propanamide
Formula:C16H16N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-[(4-nitrophenyl)sulfonylamino]propanamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-[(4-nitrophenyl)sulfonylamino]propanamide |
| MolecularFormula | C16H16N4O5S |
| Smiles | [O-][N+](c(cc1)ccc1S(NCCC(N/N=C\c1ccccc1)=O)(=O)=O)=O |
| InChI | InChI=1S/C16H16N4O5S/c21-16(19-17-12-13-4-2-1-3-5-13)10-11-18-26(24,25)15-8-6-14(7-9-15)20(22)23/h1-9,12,18H,10-11H2,(H,19,21) |
| InChIK | CTZNYXFOFGEQKA-UHFFFAOYSA-N |
| TotalMolweight | 376.392 |
| Molweight | 376.392 |
| MonoisotopicMass | 376.084141 |
| CLogP | 1.5047 |
| CLogS | -3.766 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 278.22 |
| Relative PSA | 0.38268 |
| PolarSurfaceArea | 141.83 |
| Druglikeness | -2.8874 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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