2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C17H14N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C17H14N3O5Cl |
| Smiles | OC(COc1ccc(/C=N\NC(C(Nc(cccc2)c2Cl)=O)=O)cc1)=O |
| InChI | InChI=1S/C17H14ClN3O5/c18-13-3-1-2-4-14(13)20-16(24)17(25)21-19-9-11-5-7-12(8-6-11)26-10-15(22)23/h1-9H,10H2,(H,20,24)(H,21,25)(H,22,23) |
| InChIK | MWCHVHSNNRRGEN-UHFFFAOYSA-N |
| TotalMolweight | 375.767 |
| Molweight | 375.767 |
| MonoisotopicMass | 375.062199 |
| CLogP | 1.8099 |
| CLogS | -4.054 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 279.48 |
| Relative PSA | 0.34582 |
| PolarSurfaceArea | 117.09 |
| Druglikeness | 3.6045 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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