4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C28H23N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C28H23N3O5 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c2ccc(COc3cc(CCC4)c4cc3)cc2)=O)o1)=O |
| InChI | InChI=1S/C28H23N3O5/c32-28(30-29-17-26-14-15-27(36-26)21-8-11-24(12-9-21)31(33)34)22-6-4-19(5-7-22)18-35-25-13-10-20-2-1-3-23(20)16-25/h4-17H,1-3,18H2,(H,30,32) |
| InChIK | DSHLYFBKMLWYRZ-UHFFFAOYSA-N |
| TotalMolweight | 481.507 |
| Molweight | 481.507 |
| MonoisotopicMass | 481.163772 |
| CLogP | 5.3818 |
| CLogS | -7.804 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 371.41 |
| Relative PSA | 0.24377 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | -1.8154 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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