[3-benzoyloxy-4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C30H22N3O6I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C30H22N3O6I |
| Smiles | O=C(CNC(c(cccc1)c1I)=O)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C30H22IN3O6/c31-25-14-8-7-13-24(25)28(36)32-19-27(35)34-33-18-22-15-16-23(39-29(37)20-9-3-1-4-10-20)17-26(22)40-30(38)21-11-5-2-6-12-21/h1-18H,19H2,(H,32,36)(H,34,35) |
| InChIK | MTPLWNSIXGRZIW-UHFFFAOYSA-N |
| TotalMolweight | 647.42 |
| Molweight | 647.42 |
| MonoisotopicMass | 647.055335 |
| CLogP | 5.5834 |
| CLogS | -7.444 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 431.26 |
| Relative PSA | 0.24716 |
| PolarSurfaceArea | 123.16 |
| Druglikeness | 5.4723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.525 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [3-benzoyloxy-4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [3-benzoyloxy-4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
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