| MolName | (1Z)-1-[[4-[4-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one |
| MolecularFormula | C34H24N2O2 |
| Smiles | O=C(C=Cc1c2cccc1)/C2=C/Nc(cc1)ccc1-c(cc1)ccc1N/C=C(/c(cccc1)c1C=C1)\C1=O |
| InChI | InChI=1S/C34H24N2O2/c37-33-19-13-25-5-1-3-7-29(25)31(33)21-35-27-15-9-23(10-16-27)24-11-17-28(18-12-24)36-22-32-30-8-4-2-6-26(30)14-20-34(32)38/h1-22,35-36H |
| InChIK | VIPZYCNQVCMWRQ-UHFFFAOYSA-N |
| TotalMolweight | 492.577 |
| Molweight | 492.577 |
| MonoisotopicMass | 492.183778 |
| CLogP | 5.223 |
| CLogS | -8.076 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 386.38 |
| Relative PSA | 0.12682 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 1.6524 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (1Z)-1-[[4-[4-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one | 2 - (1Z)-1-[[4-[4-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one