2-[2-[(Z)-[(E)-[1-(2-anilino-2-oxoethyl)-2-oxoindol-3-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C25H20N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(E)-[1-(2-anilino-2-oxoethyl)-2-oxoindol-3-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(E)-[1-(2-anilino-2-oxoethyl)-2-oxoindol-3-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C25H20N4O5 |
| Smiles | OC(COc1c(/C=N\N=C(/c(cccc2)c2N2CC(Nc3ccccc3)=O)\C2=O)cccc1)=O |
| InChI | InChI=1S/C25H20N4O5/c30-22(27-18-9-2-1-3-10-18)15-29-20-12-6-5-11-19(20)24(25(29)33)28-26-14-17-8-4-7-13-21(17)34-16-23(31)32/h1-14H,15-16H2,(H,27,30)(H,31,32) |
| InChIK | OTVSMNADIVXMRY-UHFFFAOYSA-N |
| TotalMolweight | 456.457 |
| Molweight | 456.457 |
| MonoisotopicMass | 456.143371 |
| CLogP | 3.6215 |
| CLogS | -5.423 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 345.89 |
| Relative PSA | 0.28983 |
| PolarSurfaceArea | 120.66 |
| Druglikeness | 6.541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(E)-[1-(2-anilino-2-oxoethyl)-2-oxoindol-3-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(E)-[1-(2-anilino-2-oxoethyl)-2-oxoindol-3-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid
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