2-[2-chloro-4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C21H17N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-chloro-4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-chloro-4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C21H17N2O5Cl |
| Smiles | OC(COc(ccc(/C=N\NC(COc1cccc2ccccc12)=O)c1)c1Cl)=O |
| InChI | InChI=1S/C21H17ClN2O5/c22-17-10-14(8-9-19(17)29-13-21(26)27)11-23-24-20(25)12-28-18-7-3-5-15-4-1-2-6-16(15)18/h1-11H,12-13H2,(H,24,25)(H,26,27) |
| InChIK | QSAIABUBVGQQHW-UHFFFAOYSA-N |
| TotalMolweight | 412.828 |
| Molweight | 412.828 |
| MonoisotopicMass | 412.0826 |
| CLogP | 3.6369 |
| CLogS | -5.636 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 308.63 |
| Relative PSA | 0.26618 |
| PolarSurfaceArea | 97.22 |
| Druglikeness | 4.2452 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-chloro-4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-chloro-4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
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