[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] benzoate
Formula:C15H13N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C15H13N3O2S |
| Smiles | NC(N/N=C\c(cc1)ccc1OC(c1ccccc1)=O)=S |
| InChI | InChI=1S/C15H13N3O2S/c16-15(21)18-17-10-11-6-8-13(9-7-11)20-14(19)12-4-2-1-3-5-12/h1-10H,(H3,16,18,21) |
| InChIK | AFHBVRICOZFQRK-UHFFFAOYSA-N |
| TotalMolweight | 299.353 |
| Molweight | 299.353 |
| MonoisotopicMass | 299.072847 |
| CLogP | 2.9625 |
| CLogS | -4.368 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 238.22 |
| Relative PSA | 0.37478 |
| PolarSurfaceArea | 108.8 |
| Druglikeness | 1.9903 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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