2-chloro-5-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzoic acid
Formula:C12H9N2O2ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 2-chloro-5-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzoic acid |
| MolecularFormula | C12H9N2O2ClS |
| Smiles | OC(c(cc(cc1)N/N=C\c2cccs2)c1Cl)=O |
| InChI | InChI=1S/C12H9ClN2O2S/c13-11-4-3-8(6-10(11)12(16)17)15-14-7-9-2-1-5-18-9/h1-7,15H,(H,16,17) |
| InChIK | IMESQPDKYTXGCS-UHFFFAOYSA-N |
| TotalMolweight | 280.734 |
| Molweight | 280.734 |
| MonoisotopicMass | 280.007325 |
| CLogP | 4.7986 |
| CLogS | -3.908 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 204.7 |
| Relative PSA | 0.33937 |
| PolarSurfaceArea | 89.93 |
| Druglikeness | 3.9156 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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