4-[(Z)-[[4-(1,3-dihydroisoindol-2-yl)benzoyl]hydrazinylidene]methyl]benzoate
Formula:C23H18N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[4-(1,3-dihydroisoindol-2-yl)benzoyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[[4-(1,3-dihydroisoindol-2-yl)benzoyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C23H18N3O3 |
| Smiles | [O-]C(c1ccc(/C=N\NC(c(cc2)ccc2N(C2)Cc3c2cccc3)=O)cc1)=O |
| InChI | InChI=1S/C23H19N3O3/c27-22(25-24-13-16-5-7-18(8-6-16)23(28)29)17-9-11-21(12-10-17)26-14-19-3-1-2-4-20(19)15-26/h1-13H,14-15H2,(H,25,27)(H,28,29)/p-1 |
| InChIK | XSHYHFMTMOXRRW-UHFFFAOYSA-M |
| TotalMolweight | 384.414 |
| Molweight | 384.414 |
| MonoisotopicMass | 384.134817 |
| CLogP | 1.0991 |
| CLogS | -5.33 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 296.35 |
| Relative PSA | 0.22568 |
| PolarSurfaceArea | 84.83 |
| Druglikeness | 6.185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[4-(1,3-dihydroisoindol-2-yl)benzoyl]hydrazinylidene]methyl]benzoate | 2 - 4-[(Z)-[[4-(1,3-dihydroisoindol-2-yl)benzoyl]hydrazinylidene]methyl]benzoate
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