N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-2-naphthalen-1-ylacetamide
Formula:C27H22N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C27H22N2O |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C(/C=C/c1ccccc1)\c1ccccc1 |
| InChI | InChI=1S/C27H22N2O/c30-27(20-24-16-9-15-22-12-7-8-17-25(22)24)29-28-26(23-13-5-2-6-14-23)19-18-21-10-3-1-4-11-21/h1-19H,20H2,(H,29,30) |
| InChIK | AYDGNOBBNMERGS-UHFFFAOYSA-N |
| TotalMolweight | 390.485 |
| Molweight | 390.485 |
| MonoisotopicMass | 390.173213 |
| CLogP | 6.105 |
| CLogS | -7.192 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 319.82 |
| Relative PSA | 0.11259 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.3768 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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