4-[[4-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]-2-iodophenoxy]methyl]benzoic acid
Formula:C23H15N3O4FI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[4-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]-2-iodophenoxy]methyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[[4-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]-2-iodophenoxy]methyl]benzoic acid |
| MolecularFormula | C23H15N3O4FI |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c(cc1)cc(I)c1OCc(cc1)ccc1C(O)=O)=O |
| InChI | InChI=1S/C23H15FIN3O4/c24-19-9-15(11-26)3-7-18(19)22(29)28-27-12-16-4-8-21(20(25)10-16)32-13-14-1-5-17(6-2-14)23(30)31/h1-10,12H,13H2,(H,28,29)(H,30,31) |
| InChIK | TXVMIQLZJBCCPO-UHFFFAOYSA-N |
| TotalMolweight | 543.287 |
| Molweight | 543.287 |
| MonoisotopicMass | 543.009133 |
| CLogP | 4.4083 |
| CLogS | -7.178 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 348.95 |
| Relative PSA | 0.24562 |
| PolarSurfaceArea | 111.78 |
| Druglikeness | -1.3224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[[4-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]-2-iodophenoxy]methyl]benzoic acid | 2 - 4-[[4-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]-2-iodophenoxy]methyl]benzoic acid
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