| MolName | 2-chloro-5-[(2Z)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoate |
| MolecularFormula | C16H11N2O2Cl2 |
| Smiles | [O-]C(c(cc(cc1)N/N=C\C(\Cl)=C\c2ccccc2)c1Cl)=O |
| InChI | InChI=1S/C16H12Cl2N2O2/c17-12(8-11-4-2-1-3-5-11)10-19-20-13-6-7-15(18)14(9-13)16(21)22/h1-10,20H,(H,21,22)/p-1 |
| InChIK | RHCYWSAWAFHLEL-UHFFFAOYSA-M |
| TotalMolweight | 334.181 |
| Molweight | 334.181 |
| MonoisotopicMass | 333.019757 |
| CLogP | 3.3359 |
| CLogS | -4.881 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 250.07 |
| Relative PSA | 0.2011 |
| PolarSurfaceArea | 64.52 |
| Druglikeness | 2.5657 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-5-[(2Z)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoate | 2 - 2-chloro-5-[(2Z)-2-[(Z)-2-chloro-3-phenylprop-2-enylidene]hydrazinyl]benzoate