(5Z)-5-benzylidene-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
Formula:C30H20N2OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-benzylidene-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-naphthalen-1-yl-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C30H20N2OS |
| Smiles | O=C(/C(/S/C1=N\c2cccc3ccccc23)=C/c2ccccc2)N1c1cccc2ccccc12 |
| InChI | InChI=1S/C30H20N2OS/c33-29-28(20-21-10-2-1-3-11-21)34-30(31-26-18-8-14-22-12-4-6-16-24(22)26)32(29)27-19-9-15-23-13-5-7-17-25(23)27/h1-20H |
| InChIK | VDUTYIDINMFKBC-UHFFFAOYSA-N |
| TotalMolweight | 456.568 |
| Molweight | 456.568 |
| MonoisotopicMass | 456.129633 |
| CLogP | 7.0668 |
| CLogS | -9.062 |
| H Acceptors | 3 |
| TotalSurfaceArea | 341.7 |
| Relative PSA | 0.13342 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 3.3637 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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