2-(naphthalen-1-ylamino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C25H21N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(naphthalen-1-ylamino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(naphthalen-1-ylamino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C25H21N3O2 |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C25H21N3O2/c29-25(18-26-24-15-7-10-20-9-4-5-14-23(20)24)28-27-17-19-8-6-13-22(16-19)30-21-11-2-1-3-12-21/h1-17,26H,18H2,(H,28,29) |
| InChIK | DXFTWWXWGYWTGV-UHFFFAOYSA-N |
| TotalMolweight | 395.461 |
| Molweight | 395.461 |
| MonoisotopicMass | 395.163377 |
| CLogP | 5.0835 |
| CLogS | -7.446 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 316.57 |
| Relative PSA | 0.18154 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 4.9195 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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