4-[(2Z)-2-benzylidenehydrazinyl]-4-oxobutanoate
Formula:C11H11N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-benzylidenehydrazinyl]-4-oxobutanoate is a drug-like molecule.
| MolName | 4-[(2Z)-2-benzylidenehydrazinyl]-4-oxobutanoate |
| MolecularFormula | C11H11N2O3 |
| Smiles | [O-]C(CCC(N/N=C\c1ccccc1)=O)=O |
| InChI | InChI=1S/C11H12N2O3/c14-10(6-7-11(15)16)13-12-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)(H,15,16)/p-1 |
| InChIK | LDJQINMJWBYUSU-UHFFFAOYSA-M |
| TotalMolweight | 219.219 |
| Molweight | 219.219 |
| MonoisotopicMass | 219.076968 |
| CLogP | -0.6857 |
| CLogS | -2.566 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 180.03 |
| Relative PSA | 0.35177 |
| PolarSurfaceArea | 81.59 |
| Druglikeness | 3.1267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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