[4-[(Z)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate
Formula:C25H25N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C25H25N3O2S |
| Smiles | O=C(c1cccc2ccccc12)Oc1ccc(/C=N\NC(NC2CCCCC2)=S)cc1 |
| InChI | InChI=1S/C25H25N3O2S/c29-24(23-12-6-8-19-7-4-5-11-22(19)23)30-21-15-13-18(14-16-21)17-26-28-25(31)27-20-9-2-1-3-10-20/h4-8,11-17,20H,1-3,9-10H2,(H2,27,28,31) |
| InChIK | RSNDSNLEJLNTGV-UHFFFAOYSA-N |
| TotalMolweight | 431.559 |
| Molweight | 431.559 |
| MonoisotopicMass | 431.166747 |
| CLogP | 6.0641 |
| CLogS | -7.464 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 343.56 |
| Relative PSA | 0.24878 |
| PolarSurfaceArea | 94.81 |
| Druglikeness | -2.6111 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
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