(E)-2-cyano-N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylphenyl)prop-2-enamide
Formula:C27H19N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylphenyl)prop-2-enamide |
| MolecularFormula | C27H19N3O |
| Smiles | N#C/C(/C(N/N=C\c1cccc2ccccc12)=O)=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C27H19N3O/c28-18-25(17-20-13-15-22(16-14-20)21-7-2-1-3-8-21)27(31)30-29-19-24-11-6-10-23-9-4-5-12-26(23)24/h1-17,19H,(H,30,31) |
| InChIK | DMYZGMZVRJEUNB-UHFFFAOYSA-N |
| TotalMolweight | 401.468 |
| Molweight | 401.468 |
| MonoisotopicMass | 401.152812 |
| CLogP | 6.2364 |
| CLogS | -8.055 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 327.77 |
| Relative PSA | 0.15123 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | 0.97312 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| StereoCon |
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