[4-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
Formula:C25H22N4O8S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate |
| MolecularFormula | C25H22N4O8S |
| Smiles | [O-][N+](c1cccc(C(Oc2ccc(/C=N\NC(c3cccc(S(N4CCOCC4)(=O)=O)c3)=O)cc2)=O)c1)=O |
| InChI | InChI=1S/C25H22N4O8S/c30-24(19-3-2-6-23(16-19)38(34,35)28-11-13-36-14-12-28)27-26-17-18-7-9-22(10-8-18)37-25(31)20-4-1-5-21(15-20)29(32)33/h1-10,15-17H,11-14H2,(H,27,30) |
| InChIK | YFNXUKQKVCOJAA-UHFFFAOYSA-N |
| TotalMolweight | 538.536 |
| Molweight | 538.536 |
| MonoisotopicMass | 538.115836 |
| CLogP | 2.7533 |
| CLogS | -4.857 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 388.59 |
| Relative PSA | 0.33866 |
| PolarSurfaceArea | 168.57 |
| Druglikeness | -4.2197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60526 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate | 2 - [4-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
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