[4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C20H15N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C20H15N3O6S |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c(cc1)ccc1OC(c1cccs1)=O)=O)=O |
| InChI | InChI=1S/C20H15N3O6S/c24-19(13-28-17-5-2-1-4-16(17)23(26)27)22-21-12-14-7-9-15(10-8-14)29-20(25)18-6-3-11-30-18/h1-12H,13H2,(H,22,24) |
| InChIK | OUYMJEPSLSQVEO-UHFFFAOYSA-N |
| TotalMolweight | 425.42 |
| Molweight | 425.42 |
| MonoisotopicMass | 425.068157 |
| CLogP | 3.152 |
| CLogS | -5.441 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 317.87 |
| Relative PSA | 0.37698 |
| PolarSurfaceArea | 151.05 |
| Druglikeness | 0.94255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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