[4-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
Formula:C30H20N3O6BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate |
| MolecularFormula | C30H20N3O6BrCl2 |
| Smiles | O=C(CNC(c1cccc(Br)c1)=O)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C30H20BrCl2N3O6/c31-22-3-1-2-20(14-22)28(38)34-17-27(37)36-35-16-21-8-13-25(41-29(39)18-4-9-23(32)10-5-18)15-26(21)42-30(40)19-6-11-24(33)12-7-19/h1-16H,17H2,(H,34,38)(H,36,37) |
| InChIK | KWMDHXDYMPJOAY-UHFFFAOYSA-N |
| TotalMolweight | 669.314 |
| Molweight | 669.314 |
| MonoisotopicMass | 666.991252 |
| CLogP | 7.0835 |
| CLogS | -8.734 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 454.45 |
| Relative PSA | 0.23455 |
| PolarSurfaceArea | 123.16 |
| Druglikeness | 3.3116 |
| 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 - [4-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate | 2 - [4-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
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