4-[[2-bromo-4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
Formula:C29H23N2O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[2-bromo-4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[[2-bromo-4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C29H23N2O5Br |
| Smiles | OC(C(N/N=C\c(cc1)cc(Br)c1OCc(cc1)ccc1C(O)=O)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C29H23BrN2O5/c30-25-17-21(13-16-26(25)37-19-20-11-14-22(15-12-20)27(33)34)18-31-32-28(35)29(36,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18,36H,19H2,(H,32,35)(H,33,34) |
| InChIK | PEVSVMYOYHGIPT-UHFFFAOYSA-N |
| TotalMolweight | 559.415 |
| Molweight | 559.415 |
| MonoisotopicMass | 558.079034 |
| CLogP | 5.0403 |
| CLogS | -6.615 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 389.76 |
| Relative PSA | 0.21872 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 3.1617 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[[2-bromo-4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[2-bromo-4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
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