N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-nitro-1-benzofuran-2-carboxamide
Formula:C28H18N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-nitro-1-benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-5-nitro-1-benzofuran-2-carboxamide |
| MolecularFormula | C28H18N4O5 |
| Smiles | N#Cc1c(COc2c(/C=N\NC(c3cc(cc(cc4)[N+]([O-])=O)c4o3)=O)c3ccccc3cc2)cccc1 |
| InChI | InChI=1S/C28H18N4O5/c29-15-19-6-1-2-7-20(19)17-36-26-11-9-18-5-3-4-8-23(18)24(26)16-30-31-28(33)27-14-21-13-22(32(34)35)10-12-25(21)37-27/h1-14,16H,17H2,(H,31,33) |
| InChIK | IASQBQWWLZAXDR-UHFFFAOYSA-N |
| TotalMolweight | 490.474 |
| Molweight | 490.474 |
| MonoisotopicMass | 490.127721 |
| CLogP | 5.1637 |
| CLogS | -9.084 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 374.78 |
| Relative PSA | 0.27776 |
| PolarSurfaceArea | 133.44 |
| Druglikeness | -4.855 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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