2-[2-[(Z)-[(4-iodobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C16H13N2O4I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(4-iodobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(4-iodobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C16H13N2O4I |
| Smiles | OC(COc1c(/C=N\NC(c(cc2)ccc2I)=O)cccc1)=O |
| InChI | InChI=1S/C16H13IN2O4/c17-13-7-5-11(6-8-13)16(22)19-18-9-12-3-1-2-4-14(12)23-10-15(20)21/h1-9H,10H2,(H,19,22)(H,20,21) |
| InChIK | JGNGCODVHHRTHS-UHFFFAOYSA-N |
| TotalMolweight | 424.189 |
| Molweight | 424.189 |
| MonoisotopicMass | 423.992006 |
| CLogP | 2.6987 |
| CLogS | -4.53 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 261.13 |
| Relative PSA | 0.2763 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 4.643 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(4-iodobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(4-iodobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
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