2-[2-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C17H12N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C17H12N3O4F |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c(cccc1)c1OCC(O)=O)=O |
| InChI | InChI=1S/C17H12FN3O4/c18-14-7-11(8-19)5-6-13(14)17(24)21-20-9-12-3-1-2-4-15(12)25-10-16(22)23/h1-7,9H,10H2,(H,21,24)(H,22,23) |
| InChIK | WKIGVLFBQPAOMC-UHFFFAOYSA-N |
| TotalMolweight | 341.297 |
| Molweight | 341.297 |
| MonoisotopicMass | 341.081185 |
| CLogP | 2.198 |
| CLogS | -4.601 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 262.91 |
| Relative PSA | 0.32601 |
| PolarSurfaceArea | 111.78 |
| Druglikeness | -1.423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
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