[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
Formula:C23H17N3O4ClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate |
| MolecularFormula | C23H17N3O4ClI |
| Smiles | O=C(CNC(c(cccc1)c1I)=O)N/N=C\c(cc1)ccc1OC(c1cc(Cl)ccc1)=O |
| InChI | InChI=1S/C23H17ClIN3O4/c24-17-5-3-4-16(12-17)23(31)32-18-10-8-15(9-11-18)13-27-28-21(29)14-26-22(30)19-6-1-2-7-20(19)25/h1-13H,14H2,(H,26,30)(H,28,29) |
| InChIK | JGBQXZBADXNCQY-UHFFFAOYSA-N |
| TotalMolweight | 561.758 |
| Molweight | 561.758 |
| MonoisotopicMass | 560.995232 |
| CLogP | 4.7589 |
| CLogS | -6.71 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 359.17 |
| Relative PSA | 0.23262 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 5.5192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate | 2 - [4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
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