N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C23H16N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C23H16N2O2Cl2 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C23H16Cl2N2O2/c24-17-8-10-20(21(25)13-17)22-11-9-18(29-22)14-26-27-23(28)12-16-6-3-5-15-4-1-2-7-19(15)16/h1-11,13-14H,12H2,(H,27,28) |
| InChIK | DERQZTUKGMEVQQ-UHFFFAOYSA-N |
| TotalMolweight | 423.298 |
| Molweight | 423.298 |
| MonoisotopicMass | 422.058882 |
| CLogP | 6.545 |
| CLogS | -8.224 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 315.64 |
| Relative PSA | 0.15879 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 6.4874 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| StereoCon |
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