N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C27H20N2O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C27H20N2O3 |
| Smiles | O=C(c1cc(cccc2)c2o1)N/N=C\c(cccc1)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C27H20N2O3/c30-27(26-16-20-9-2-6-15-25(20)32-26)29-28-17-21-10-3-5-14-24(21)31-18-22-12-7-11-19-8-1-4-13-23(19)22/h1-17H,18H2,(H,29,30) |
| InChIK | ISBLRSOBZWPYKP-UHFFFAOYSA-N |
| TotalMolweight | 420.467 |
| Molweight | 420.467 |
| MonoisotopicMass | 420.147393 |
| CLogP | 6.2497 |
| CLogS | -7.851 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.4 |
| Relative PSA | 0.18251 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 4.4767 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| StereoCon |
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