N-[(Z)-furan-2-ylmethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
Formula:C15H16N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline |
| MolecularFormula | C15H16N4O6S |
| Smiles | [O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C15H16N4O6S/c20-19(21)12-3-4-14(17-16-11-13-2-1-7-25-13)15(10-12)26(22,23)18-5-8-24-9-6-18/h1-4,7,10-11,17H,5-6,8-9H2 |
| InChIK | XIPJESHAWRSPKF-UHFFFAOYSA-N |
| TotalMolweight | 380.38 |
| Molweight | 380.38 |
| MonoisotopicMass | 380.079056 |
| CLogP | 2.1508 |
| CLogS | -2.497 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 273.02 |
| Relative PSA | 0.40155 |
| PolarSurfaceArea | 138.34 |
| Druglikeness | -3.2487 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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