| MolName | 2-chloro-5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoate |
| MolecularFormula | C16H12N2O2Cl |
| Smiles | [O-]C(c(cc(cc1)N/N=C\C=C\c2ccccc2)c1Cl)=O |
| InChI | InChI=1S/C16H13ClN2O2/c17-15-9-8-13(11-14(15)16(20)21)19-18-10-4-7-12-5-2-1-3-6-12/h1-11,19H,(H,20,21)/p-1 |
| InChIK | IIYBXMWVSGZMSX-UHFFFAOYSA-M |
| TotalMolweight | 299.736 |
| Molweight | 299.736 |
| MonoisotopicMass | 299.05873 |
| CLogP | 2.8743 |
| CLogS | -4.19 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 236.44 |
| Relative PSA | 0.2127 |
| PolarSurfaceArea | 64.52 |
| Druglikeness | 2.2897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoate | 2 - 2-chloro-5-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoate