[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Formula:C15H12N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C15H12N3O2ClS |
| Smiles | NC(N/N=C\c(cccc1)c1OC(c(cc1)ccc1Cl)=O)=S |
| InChI | InChI=1S/C15H12ClN3O2S/c16-12-7-5-10(6-8-12)14(20)21-13-4-2-1-3-11(13)9-18-19-15(17)22/h1-9H,(H3,17,19,22) |
| InChIK | JNIPRBRAPHGYIH-UHFFFAOYSA-N |
| TotalMolweight | 333.798 |
| Molweight | 333.798 |
| MonoisotopicMass | 333.033874 |
| CLogP | 3.5685 |
| CLogS | -5.104 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 253.64 |
| Relative PSA | 0.35199 |
| PolarSurfaceArea | 108.8 |
| Druglikeness | 2.0627 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.63636 |
| 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 - [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [2-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
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