[4-bromo-2-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Formula:C25H16N2O3BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[4-bromo-2-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C25H16N2O3BrCl |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C25H16BrClN2O3/c26-19-10-13-23(32-25(31)17-8-11-20(27)12-9-17)18(14-19)15-28-29-24(30)22-7-3-5-16-4-1-2-6-21(16)22/h1-15H,(H,29,30) |
| InChIK | FDRWMVGRUNFEPY-UHFFFAOYSA-N |
| TotalMolweight | 507.77 |
| Molweight | 507.77 |
| MonoisotopicMass | 506.003281 |
| CLogP | 7.1577 |
| CLogS | -8.367 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 343.15 |
| Relative PSA | 0.17208 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.2516 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [4-bromo-2-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
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