2-[4-[(Z)-[[2-(2-carbamoylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C18H17N3O6
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-[4-[(Z)-[[2-(2-carbamoylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-(2-carbamoylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H17N3O6 |
| Smiles | NC(c(cccc1)c1OCC(N/N=C\c(cc1)ccc1OCC(O)=O)=O)=O |
| InChI | InChI=1S/C18H17N3O6/c19-18(25)14-3-1-2-4-15(14)27-10-16(22)21-20-9-12-5-7-13(8-6-12)26-11-17(23)24/h1-9H,10-11H2,(H2,19,25)(H,21,22)(H,23,24) |
| InChIK | WCJDYJWDLTWIGP-UHFFFAOYSA-N |
| TotalMolweight | 371.348 |
| Molweight | 371.348 |
| MonoisotopicMass | 371.111737 |
| CLogP | 0.9238 |
| CLogS | -3.383 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 284.88 |
| Relative PSA | 0.38774 |
| PolarSurfaceArea | 140.31 |
| Druglikeness | 4.58 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-(2-carbamoylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[[2-(2-carbamoylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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