2-[(4-chlorobenzoyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
Formula:C25H18N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(4-chlorobenzoyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-[(4-chlorobenzoyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide |
| MolecularFormula | C25H18N3O2Cl |
| Smiles | O=C(c(cc1)ccc1Cl)Nc(cccc1)c1C(N/N=C\c1cccc2ccccc12)=O |
| InChI | InChI=1S/C25H18ClN3O2/c26-20-14-12-18(13-15-20)24(30)28-23-11-4-3-10-22(23)25(31)29-27-16-19-8-5-7-17-6-1-2-9-21(17)19/h1-16H,(H,28,30)(H,29,31) |
| InChIK | VCBGCWGQZOKKHG-UHFFFAOYSA-N |
| TotalMolweight | 427.89 |
| Molweight | 427.89 |
| MonoisotopicMass | 427.108754 |
| CLogP | 6.1495 |
| CLogS | -7.575 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 325.98 |
| Relative PSA | 0.18562 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.9085 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4-chlorobenzoyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide | 2 - 2-[(4-chlorobenzoyl)amino]-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
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