3-[(2Z)-2-[(5-bromo-3-iodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid
Formula:C21H16N2O3BrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[(5-bromo-3-iodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 3-[(2Z)-2-[(5-bromo-3-iodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C21H16N2O3BrI |
| Smiles | OC(c1cccc(N/N=C\c2cc(Br)cc(I)c2OCc2ccccc2)c1)=O |
| InChI | InChI=1S/C21H16BrIN2O3/c22-17-9-16(12-24-25-18-8-4-7-15(10-18)21(26)27)20(19(23)11-17)28-13-14-5-2-1-3-6-14/h1-12,25H,13H2,(H,26,27) |
| InChIK | OGZFEHXAGSMWGP-UHFFFAOYSA-N |
| TotalMolweight | 551.173 |
| Molweight | 551.173 |
| MonoisotopicMass | 549.938902 |
| CLogP | 6.8364 |
| CLogS | -6.353 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 321.77 |
| Relative PSA | 0.1837 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 0.30858 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(2Z)-2-[(5-bromo-3-iodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid | 2 - 3-[(2Z)-2-[(5-bromo-3-iodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid
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