[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Formula:C21H14N2O3ClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate |
| MolecularFormula | C21H14N2O3ClI |
| Smiles | O=C(c(cccc1)c1Cl)N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O |
| InChI | InChI=1S/C21H14ClIN2O3/c22-18-7-3-1-5-16(18)20(26)25-24-13-14-9-11-15(12-10-14)28-21(27)17-6-2-4-8-19(17)23/h1-13H,(H,25,26) |
| InChIK | REEMNWQVRXTGES-UHFFFAOYSA-N |
| TotalMolweight | 504.706 |
| Molweight | 504.706 |
| MonoisotopicMass | 503.973768 |
| CLogP | 5.6752 |
| CLogS | -6.943 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 316.2 |
| Relative PSA | 0.18675 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.4939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| 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 | 2 |
| StereoCon |
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1 - [4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate | 2 - [4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
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