[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C30H20N3O6Cl2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C30H20N3O6Cl2I |
| Smiles | O=C(CNC(c(cccc1)c1I)=O)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C30H20Cl2IN3O6/c31-21-10-5-18(6-11-21)29(39)41-23-14-9-20(26(15-23)42-30(40)19-7-12-22(32)13-8-19)16-35-36-27(37)17-34-28(38)24-3-1-2-4-25(24)33/h1-16H,17H2,(H,34,38)(H,36,37) |
| InChIK | RTPHWMUFWGSSSY-UHFFFAOYSA-N |
| TotalMolweight | 716.31 |
| Molweight | 716.31 |
| MonoisotopicMass | 714.977389 |
| CLogP | 6.7954 |
| CLogS | -8.916 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 462.1 |
| Relative PSA | 0.23066 |
| PolarSurfaceArea | 123.16 |
| Druglikeness | 5.5192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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