N-[(Z)-benzylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
Formula:C17H18N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline |
| MolecularFormula | C17H18N4O5S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCOCC2)(=O)=O)c1N/N=C\c1ccccc1)=O |
| InChI | InChI=1S/C17H18N4O5S/c22-21(23)17-12-15(27(24,25)20-8-10-26-11-9-20)6-7-16(17)19-18-13-14-4-2-1-3-5-14/h1-7,12-13,19H,8-11H2 |
| InChIK | ZEASLBSMHHJUCW-UHFFFAOYSA-N |
| TotalMolweight | 390.419 |
| Molweight | 390.419 |
| MonoisotopicMass | 390.099791 |
| CLogP | 2.9621 |
| CLogS | -2.815 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 283.33 |
| Relative PSA | 0.33713 |
| PolarSurfaceArea | 125.2 |
| Druglikeness | -4.5308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline | 2 - N-[(Z)-benzylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
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