N-naphthalen-1-yl-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide
Formula:C23H21N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-naphthalen-1-yl-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide is a drug-like molecule.
| MolName | N-naphthalen-1-yl-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide |
| MolecularFormula | C23H21N3O2 |
| Smiles | O=C(CCC(N/N=C\C=C\c1ccccc1)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C23H21N3O2/c27-22(25-21-14-6-12-19-11-4-5-13-20(19)21)15-16-23(28)26-24-17-7-10-18-8-2-1-3-9-18/h1-14,17H,15-16H2,(H,25,27)(H,26,28) |
| InChIK | GSTJZTIXKLVFQW-UHFFFAOYSA-N |
| TotalMolweight | 371.439 |
| Molweight | 371.439 |
| MonoisotopicMass | 371.163377 |
| CLogP | 4.2654 |
| CLogS | -5.963 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 304.82 |
| Relative PSA | 0.19851 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.6617 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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