N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-1-carboxamide
Formula:C20H16N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-1-carboxamide |
| MolecularFormula | C20H16N2O |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C20H16N2O/c23-20(19-14-6-12-17-11-4-5-13-18(17)19)22-21-15-7-10-16-8-2-1-3-9-16/h1-15H,(H,22,23) |
| InChIK | DWLUASQHMGLQGW-UHFFFAOYSA-N |
| TotalMolweight | 300.36 |
| Molweight | 300.36 |
| MonoisotopicMass | 300.126263 |
| CLogP | 4.4143 |
| CLogS | -5.619 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 248.09 |
| Relative PSA | 0.14515 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.4481 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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