[4-bromo-2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
Formula:C26H19N2O5Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C26H19N2O5Br |
| Smiles | O=C(COc1cccc2ccccc12)N/N=C\c(cc(cc1)Br)c1OC(/C=C\c1ccco1)=O |
| InChI | InChI=1S/C26H19BrN2O5/c27-20-10-12-23(34-26(31)13-11-21-7-4-14-32-21)19(15-20)16-28-29-25(30)17-33-24-9-3-6-18-5-1-2-8-22(18)24/h1-16H,17H2,(H,29,30) |
| InChIK | YLGRHNDQYCHPJX-UHFFFAOYSA-N |
| TotalMolweight | 519.35 |
| Molweight | 519.35 |
| MonoisotopicMass | 518.047734 |
| CLogP | 5.6445 |
| CLogS | -7.463 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 367.68 |
| Relative PSA | 0.22617 |
| PolarSurfaceArea | 90.13 |
| Druglikeness | 0.072388 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate | 2 - [4-bromo-2-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
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