4-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoate
Formula:C16H13N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoate is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzoate |
| MolecularFormula | C16H13N2O2 |
| Smiles | [O-]C(c(cc1)ccc1N/N=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C16H14N2O2/c19-16(20)14-8-10-15(11-9-14)18-17-12-4-7-13-5-2-1-3-6-13/h1-12,18H,(H,19,20)/p-1 |
| InChIK | MUHJGLSGNVACDJ-UHFFFAOYSA-M |
| TotalMolweight | 265.291 |
| Molweight | 265.291 |
| MonoisotopicMass | 265.097703 |
| CLogP | 2.2683 |
| CLogS | -3.454 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.02 |
| Relative PSA | 0.22754 |
| PolarSurfaceArea | 64.52 |
| Druglikeness | 2.2434 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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