[1-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C27H19N3O4BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C27H19N3O4BrCl |
| Smiles | O=C(CNC(c1cccc(Br)c1)=O)N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C27H19BrClN3O4/c28-20-6-3-5-19(14-20)26(34)30-16-25(33)32-31-15-23-22-7-2-1-4-17(22)10-13-24(23)36-27(35)18-8-11-21(29)12-9-18/h1-15H,16H2,(H,30,34)(H,32,33) |
| InChIK | CWKAMJJRRGAVAV-UHFFFAOYSA-N |
| TotalMolweight | 564.822 |
| Molweight | 564.822 |
| MonoisotopicMass | 563.024745 |
| CLogP | 6.2414 |
| CLogS | -8.134 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 386.12 |
| Relative PSA | 0.21638 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.3116 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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