[3-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C21H13N2O3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C21H13N2O3Cl3 |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C21H13Cl3N2O3/c22-15-6-4-14(5-7-15)20(27)26-25-12-13-2-1-3-17(10-13)29-21(28)18-9-8-16(23)11-19(18)24/h1-12H,(H,26,27) |
| InChIK | ISDDEMCUCHZGAC-UHFFFAOYSA-N |
| TotalMolweight | 447.704 |
| Molweight | 447.704 |
| MonoisotopicMass | 445.999174 |
| CLogP | 6.4501 |
| CLogS | -7.399 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 320.76 |
| Relative PSA | 0.18409 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [3-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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