[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Formula:C15H12N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate is a drug-like molecule.
| MolName | [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C15H12N3O2BrS |
| Smiles | NC(N/N=C\c(cccc1)c1OC(c(cccc1)c1Br)=O)=S |
| InChI | InChI=1S/C15H12BrN3O2S/c16-12-7-3-2-6-11(12)14(20)21-13-8-4-1-5-10(13)9-18-19-15(17)22/h1-9H,(H3,17,19,22) |
| InChIK | DUUUAISJHQECCG-UHFFFAOYSA-N |
| TotalMolweight | 378.249 |
| Molweight | 378.249 |
| MonoisotopicMass | 376.983358 |
| CLogP | 3.6877 |
| CLogS | -5.202 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 256.85 |
| Relative PSA | 0.3476 |
| PolarSurfaceArea | 108.8 |
| Druglikeness | 0.20026 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate | 2 - [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
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