[4-[(Z)-(3-benzamidopropanoylhydrazinylidene)methyl]phenyl] benzoate
Formula:C24H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(3-benzamidopropanoylhydrazinylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-(3-benzamidopropanoylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C24H21N3O4 |
| Smiles | O=C(CCNC(c1ccccc1)=O)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C24H21N3O4/c28-22(15-16-25-23(29)19-7-3-1-4-8-19)27-26-17-18-11-13-21(14-12-18)31-24(30)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,25,29)(H,27,28) |
| InChIK | UQDUGQAMKMVUMR-UHFFFAOYSA-N |
| TotalMolweight | 415.448 |
| Molweight | 415.448 |
| MonoisotopicMass | 415.153207 |
| CLogP | 4.1702 |
| CLogS | -5.228 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 331.23 |
| Relative PSA | 0.25224 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 5.0596 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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