| MolName | N-[(Z)-1-anthracen-9-yl-3-oxo-3-(2-phenylhydrazinyl)prop-1-en-2-yl]benzamide |
| MolecularFormula | C30H23N3O2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1c(cccc2)c2cc2ccccc12)NNc1ccccc1 |
| InChI | InChI=1S/C30H23N3O2/c34-29(21-11-3-1-4-12-21)31-28(30(35)33-32-24-15-5-2-6-16-24)20-27-25-17-9-7-13-22(25)19-23-14-8-10-18-26(23)27/h1-20,32H,(H,31,34)(H,33,35) |
| InChIK | XDIRSMJDIBQTSH-UHFFFAOYSA-N |
| TotalMolweight | 457.532 |
| Molweight | 457.532 |
| MonoisotopicMass | 457.179027 |
| CLogP | 7.2624 |
| CLogS | -7.695 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 356.57 |
| Relative PSA | 0.16956 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 4.2429 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-1-anthracen-9-yl-3-oxo-3-(2-phenylhydrazinyl)prop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-anthracen-9-yl-3-oxo-3-(2-phenylhydrazinyl)prop-1-en-2-yl]benzamide