[4-bromo-2-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C28H21N2O4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C28H21N2O4Br |
| Smiles | O=C(COc1cc2ccccc2cc1)N/N=C\c(cc(cc1)Br)c1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C28H21BrN2O4/c29-24-12-14-26(35-28(33)15-10-20-6-2-1-3-7-20)23(16-24)18-30-31-27(32)19-34-25-13-11-21-8-4-5-9-22(21)17-25/h1-18H,19H2,(H,31,32) |
| InChIK | SOVNBCHWENBEAX-UHFFFAOYSA-N |
| TotalMolweight | 529.389 |
| Molweight | 529.389 |
| MonoisotopicMass | 528.068469 |
| CLogP | 6.4558 |
| CLogS | -7.781 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 377.99 |
| Relative PSA | 0.18268 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 0.086579 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-bromo-2-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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