1-benzyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-3-carboxamide
Formula:C27H24N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-3-carboxamide is a drug-like molecule.
| MolName | 1-benzyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-3-carboxamide |
| MolecularFormula | C27H24N3O2 |
| Smiles | O=C(c1c[n+](Cc2ccccc2)ccc1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C27H23N3O2/c31-27(25-12-7-17-30(20-25)19-23-8-3-1-4-9-23)29-28-18-22-13-15-26(16-14-22)32-21-24-10-5-2-6-11-24/h1-18,20H,19,21H2/p+1 |
| InChIK | PTTXWOFQODPDGI-UHFFFAOYSA-O |
| TotalMolweight | 422.507 |
| Molweight | 422.507 |
| MonoisotopicMass | 422.186852 |
| CLogP | 0.9827 |
| CLogS | -4.72 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 341.33 |
| Relative PSA | 0.14288 |
| PolarSurfaceArea | 54.57 |
| Druglikeness | 3.7043 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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