[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Formula:C25H17N2O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C25H17N2O3Br |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O |
| InChI | InChI=1S/C25H17BrN2O3/c26-23-11-4-3-9-22(23)25(30)31-19-14-12-17(13-15-19)16-27-28-24(29)21-10-5-7-18-6-1-2-8-20(18)21/h1-16H,(H,28,29) |
| InChIK | CNJQSXIEOLANAA-UHFFFAOYSA-N |
| TotalMolweight | 473.325 |
| Molweight | 473.325 |
| MonoisotopicMass | 472.042254 |
| CLogP | 6.5517 |
| CLogS | -7.631 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 327.73 |
| Relative PSA | 0.18018 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.2076 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
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