N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C23H18N3OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C23H18N3OCl |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1cccn1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H18ClN3O/c24-19-10-12-20(13-11-19)27-14-4-8-21(27)16-25-26-23(28)15-18-7-3-6-17-5-1-2-9-22(17)18/h1-14,16H,15H2,(H,26,28) |
| InChIK | XYUIESIFZASKRX-UHFFFAOYSA-N |
| TotalMolweight | 387.869 |
| Molweight | 387.869 |
| MonoisotopicMass | 387.113839 |
| CLogP | 5.239 |
| CLogS | -8.365 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 299.73 |
| Relative PSA | 0.14306 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.4568 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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