[4-[(Z)-[(2-anilinoacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Formula:C22H18N3O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-anilinoacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-[(2-anilinoacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate |
| MolecularFormula | C22H18N3O3I |
| Smiles | O=C(CNc1ccccc1)N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O |
| InChI | InChI=1S/C22H18IN3O3/c23-20-9-5-4-8-19(20)22(28)29-18-12-10-16(11-13-18)14-25-26-21(27)15-24-17-6-2-1-3-7-17/h1-14,24H,15H2,(H,26,27) |
| InChIK | LKHUUQDZSKHLOZ-UHFFFAOYSA-N |
| TotalMolweight | 499.303 |
| Molweight | 499.303 |
| MonoisotopicMass | 499.03929 |
| CLogP | 4.3611 |
| CLogS | -6.029 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 326 |
| Relative PSA | 0.21629 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 5.1017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - [4-[(Z)-[(2-anilinoacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate | 2 - [4-[(Z)-[(2-anilinoacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
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