[4-[(Z)-[(2-amino-3,5-dibromobenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Formula:C21H14N3O3Br2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-amino-3,5-dibromobenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-amino-3,5-dibromobenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate |
| MolecularFormula | C21H14N3O3Br2I |
| Smiles | Nc(c(Br)cc(Br)c1)c1C(N/N=C\c(cc1)ccc1OC(c(cccc1)c1I)=O)=O |
| InChI | InChI=1S/C21H14Br2IN3O3/c22-13-9-16(19(25)17(23)10-13)20(28)27-26-11-12-5-7-14(8-6-12)30-21(29)15-3-1-2-4-18(15)24/h1-11H,25H2,(H,27,28) |
| InChIK | ZFQVVNXSNWTLFW-UHFFFAOYSA-N |
| TotalMolweight | 643.068 |
| Molweight | 643.068 |
| MonoisotopicMass | 640.844662 |
| CLogP | 5.8423 |
| CLogS | -7.951 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 346.56 |
| Relative PSA | 0.21445 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 2.6368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - [4-[(Z)-[(2-amino-3,5-dibromobenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate | 2 - [4-[(Z)-[(2-amino-3,5-dibromobenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
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