[4-[(Z)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C25H18N3O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C25H18N3O2ClS |
| Smiles | O=C(c1cccc2ccccc12)Oc1ccc(/C=N\NC(Nc2cccc(Cl)c2)=S)cc1 |
| InChI | InChI=1S/C25H18ClN3O2S/c26-19-7-4-8-20(15-19)28-25(32)29-27-16-17-11-13-21(14-12-17)31-24(30)23-10-3-6-18-5-1-2-9-22(18)23/h1-16H,(H2,28,29,32) |
| InChIK | LIHBUBOCVNLCFD-UHFFFAOYSA-N |
| TotalMolweight | 459.956 |
| Molweight | 459.956 |
| MonoisotopicMass | 459.080824 |
| CLogP | 6.8231 |
| CLogS | -8.133 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 350.94 |
| Relative PSA | 0.24355 |
| PolarSurfaceArea | 94.81 |
| Druglikeness | 2.0847 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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