2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]benzoate
Formula:C16H13N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]benzoate |
| MolecularFormula | C16H13N2O3 |
| Smiles | [O-]C(c1c(/C=N\NC(Cc2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C16H14N2O3/c19-15(10-12-6-2-1-3-7-12)18-17-11-13-8-4-5-9-14(13)16(20)21/h1-9,11H,10H2,(H,18,19)(H,20,21)/p-1 |
| InChIK | NAJKXQFBRPPTBA-UHFFFAOYSA-M |
| TotalMolweight | 281.29 |
| Molweight | 281.29 |
| MonoisotopicMass | 281.092618 |
| CLogP | 0.6088 |
| CLogS | -3.699 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 226.03 |
| Relative PSA | 0.28018 |
| PolarSurfaceArea | 81.59 |
| Druglikeness | 4.3875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| 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 | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]benzoate | 2 - 2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]benzoate
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