[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
Formula:C15H12N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate |
| MolecularFormula | C15H12N3O2FS |
| Smiles | NC(N/N=C\c(cc1)ccc1OC(c(cccc1)c1F)=O)=S |
| InChI | InChI=1S/C15H12FN3O2S/c16-13-4-2-1-3-12(13)14(20)21-11-7-5-10(6-8-11)9-18-19-15(17)22/h1-9H,(H3,17,19,22) |
| InChIK | PSTQNBFRHQQSRU-UHFFFAOYSA-N |
| TotalMolweight | 317.343 |
| Molweight | 317.343 |
| MonoisotopicMass | 317.063425 |
| CLogP | 3.0633 |
| CLogS | -4.682 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 244.57 |
| Relative PSA | 0.36505 |
| PolarSurfaceArea | 108.8 |
| Druglikeness | 0.65026 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.68182 |
| 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 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate | 2 - [4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
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