[4-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C25H17N2O3Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C25H17N2O3Br |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C/c(cc1)ccc1OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C25H17BrN2O3/c26-20-12-10-19(11-13-20)24(29)28-27-16-17-8-14-21(15-9-17)31-25(30)23-7-3-5-18-4-1-2-6-22(18)23/h1-16H,(H,28,29) |
| InChIK | NGJUCHBCGNHEOM-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 | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| 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 | 4 |
| StereoCon |
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