3-[5-[(Z)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C19H13N2O5Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[5-[(Z)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 3-[5-[(Z)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C19H13N2O5Br |
| Smiles | OC(c1cccc(-c2ccc(/C=N\NC(c(cc(cc3)Br)c3O)=O)o2)c1)=O |
| InChI | InChI=1S/C19H13BrN2O5/c20-13-4-6-16(23)15(9-13)18(24)22-21-10-14-5-7-17(27-14)11-2-1-3-12(8-11)19(25)26/h1-10,23H,(H,22,24)(H,25,26) |
| InChIK | GAMJDNOZNSAGBN-UHFFFAOYSA-N |
| TotalMolweight | 429.225 |
| Molweight | 429.225 |
| MonoisotopicMass | 428.000784 |
| CLogP | 4.0051 |
| CLogS | -5.732 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 285.52 |
| Relative PSA | 0.31297 |
| PolarSurfaceArea | 112.13 |
| Druglikeness | 4.5172 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[5-[(Z)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 3-[5-[(Z)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
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