3-morpholin-4-ylsulfonyl-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide
Formula:C19H20N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide is a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide |
| MolecularFormula | C19H20N4O6S |
| Smiles | C=C(c(cc1)ccc1[N+]([O-])=O)NNC(c1cccc(S(N2CCOCC2)(=O)=O)c1)=O |
| InChI | InChI=1S/C19H20N4O6S/c1-14(15-5-7-17(8-6-15)23(25)26)20-21-19(24)16-3-2-4-18(13-16)30(27,28)22-9-11-29-12-10-22/h2-8,13,20H,1,9-12H2,(H,21,24) |
| InChIK | WOTPACFHTVMRHQ-UHFFFAOYSA-N |
| TotalMolweight | 432.456 |
| Molweight | 432.456 |
| MonoisotopicMass | 432.110356 |
| CLogP | 0.2515 |
| CLogS | -3.301 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 310.53 |
| Relative PSA | 0.34943 |
| PolarSurfaceArea | 141.94 |
| Druglikeness | -14.505 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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