[4-bromo-2-[(Z)-[[2-[(2-hydroxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C23H18N3O6Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-[(2-hydroxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-[(2-hydroxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C23H18N3O6Br |
| Smiles | Oc(cccc1)c1C(NCC(N/N=C\c(cc(cc1)Br)c1OC(/C=C/c1ccco1)=O)=O)=O |
| InChI | InChI=1S/C23H18BrN3O6/c24-16-7-9-20(33-22(30)10-8-17-4-3-11-32-17)15(12-16)13-26-27-21(29)14-25-23(31)18-5-1-2-6-19(18)28/h1-13,28H,14H2,(H,25,31)(H,27,29) |
| InChIK | WEXVUGIGQBDHQT-UHFFFAOYSA-N |
| TotalMolweight | 512.315 |
| Molweight | 512.315 |
| MonoisotopicMass | 511.037898 |
| CLogP | 3.6132 |
| CLogS | -5.548 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 358.64 |
| Relative PSA | 0.30883 |
| PolarSurfaceArea | 130.23 |
| Druglikeness | 1.1733 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[[2-[(2-hydroxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [4-bromo-2-[(Z)-[[2-[(2-hydroxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
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