2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline
Formula:C19H20N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline is a drug-like molecule.
| MolName | 2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline |
| MolecularFormula | C19H20N4O5S |
| Smiles | [O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N/N=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C19H20N4O5S/c24-23(25)17-8-9-18(21-20-10-4-7-16-5-2-1-3-6-16)19(15-17)29(26,27)22-11-13-28-14-12-22/h1-10,15,21H,11-14H2 |
| InChIK | MFDZXJQOIFHAHJ-UHFFFAOYSA-N |
| TotalMolweight | 416.457 |
| Molweight | 416.457 |
| MonoisotopicMass | 416.115441 |
| CLogP | 2.9804 |
| CLogS | -3.107 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 309.83 |
| Relative PSA | 0.3083 |
| PolarSurfaceArea | 125.2 |
| Druglikeness | -4.3902 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| 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 - 2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline | 2 - 2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline
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