N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-4-nitrobenzohydrazide
Formula:C18H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-4-nitrobenzohydrazide is a drug-like molecule.
| MolName | N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-4-nitrobenzohydrazide |
| MolecularFormula | C18H17N3O5 |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC(COc1cc(CCC2)c2cc1)=O)=O)=O |
| InChI | InChI=1S/C18H17N3O5/c22-17(11-26-16-9-6-12-2-1-3-14(12)10-16)19-20-18(23)13-4-7-15(8-5-13)21(24)25/h4-10H,1-3,11H2,(H,19,22)(H,20,23) |
| InChIK | KUOAGIMKUGAQCS-UHFFFAOYSA-N |
| TotalMolweight | 355.349 |
| Molweight | 355.349 |
| MonoisotopicMass | 355.116822 |
| CLogP | 1.0857 |
| CLogS | -4.372 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 266.65 |
| Relative PSA | 0.33535 |
| PolarSurfaceArea | 113.25 |
| Druglikeness | -6.549 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-4-nitrobenzohydrazide | 2 - N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-4-nitrobenzohydrazide
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