2-[2-[(Z)-[[2-(4-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C18H15N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-(4-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-(4-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H15N3O5 |
| Smiles | N#Cc(cc1)ccc1OCC(N/N=C\c(cccc1)c1OCC(O)=O)=O |
| InChI | InChI=1S/C18H15N3O5/c19-9-13-5-7-15(8-6-13)25-11-17(22)21-20-10-14-3-1-2-4-16(14)26-12-18(23)24/h1-8,10H,11-12H2,(H,21,22)(H,23,24) |
| InChIK | ZONGTONZUPDPKM-UHFFFAOYSA-N |
| TotalMolweight | 353.333 |
| Molweight | 353.333 |
| MonoisotopicMass | 353.101172 |
| CLogP | 1.6721 |
| CLogS | -4.067 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 280.32 |
| Relative PSA | 0.34143 |
| PolarSurfaceArea | 121.01 |
| Druglikeness | -0.083043 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-(4-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-(4-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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