2-[2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C16H12N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C16H12N2O4Cl2 |
| Smiles | OC(COc1c(/C=N\NC(c(ccc(Cl)c2)c2Cl)=O)cccc1)=O |
| InChI | InChI=1S/C16H12Cl2N2O4/c17-11-5-6-12(13(18)7-11)16(23)20-19-8-10-3-1-2-4-14(10)24-9-15(21)22/h1-8H,9H2,(H,20,23)(H,21,22) |
| InChIK | WKQJBOCCWOVIKO-UHFFFAOYSA-N |
| TotalMolweight | 367.187 |
| Molweight | 367.187 |
| MonoisotopicMass | 366.017412 |
| CLogP | 3.4736 |
| CLogS | -4.986 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 265.69 |
| Relative PSA | 0.27156 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 4.2452 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| 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)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
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