N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C29H23N3O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C29H23N3O2 |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(cccc1)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C29H23N3O2/c33-29(26-15-4-5-16-27(26)32-18-7-8-19-32)31-30-20-23-11-2-6-17-28(23)34-21-24-13-9-12-22-10-1-3-14-25(22)24/h1-20H,21H2,(H,31,33) |
| InChIK | DYQNOCPLBIUYEW-UHFFFAOYSA-N |
| TotalMolweight | 445.521 |
| Molweight | 445.521 |
| MonoisotopicMass | 445.179027 |
| CLogP | 5.929 |
| CLogS | -8.981 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 354.07 |
| Relative PSA | 0.14935 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 4.7262 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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