N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
Formula:C26H21N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide |
| MolecularFormula | C26H21N3O3 |
| Smiles | O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C26H21N3O3/c30-25(18-27-26(31)24-15-7-10-20-9-4-5-14-23(20)24)29-28-17-19-8-6-13-22(16-19)32-21-11-2-1-3-12-21/h1-17H,18H2,(H,27,31)(H,29,30) |
| InChIK | PAROIKAWIHHREM-UHFFFAOYSA-N |
| TotalMolweight | 423.471 |
| Molweight | 423.471 |
| MonoisotopicMass | 423.158292 |
| CLogP | 4.8753 |
| CLogS | -7.391 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.32 |
| Relative PSA | 0.21091 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 5.2452 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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