N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-cyanobenzamide
Formula:C26H18N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-cyanobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-cyanobenzamide |
| MolecularFormula | C26H18N3O2Cl |
| Smiles | N#Cc(cc1)ccc1C(N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C26H18ClN3O2/c27-22-12-7-19(8-13-22)17-32-25-14-11-20-3-1-2-4-23(20)24(25)16-29-30-26(31)21-9-5-18(15-28)6-10-21/h1-14,16H,17H2,(H,30,31) |
| InChIK | NDOGYZXYKQHZDN-UHFFFAOYSA-N |
| TotalMolweight | 439.901 |
| Molweight | 439.901 |
| MonoisotopicMass | 439.108754 |
| CLogP | 6.1857 |
| CLogS | -8.177 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 342.24 |
| Relative PSA | 0.17406 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -0.22856 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-cyanobenzamide | 2 - N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-cyanobenzamide
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