[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
Formula:C21H14N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate |
| MolecularFormula | C21H14N2O3Cl2 |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(c1cccc(Cl)c1)=O |
| InChI | InChI=1S/C21H14Cl2N2O3/c22-17-8-6-15(7-9-17)20(26)25-24-13-14-4-10-19(11-5-14)28-21(27)16-2-1-3-18(23)12-16/h1-13H,(H,25,26) |
| InChIK | ILNIXHOKWPMUDZ-UHFFFAOYSA-N |
| TotalMolweight | 413.259 |
| Molweight | 413.259 |
| MonoisotopicMass | 412.038147 |
| CLogP | 5.8441 |
| CLogS | -6.663 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.34 |
| Relative PSA | 0.19339 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate | 2 - [4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
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