2-[2-[(Z)-[[2-(3-phenylpropanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C20H21N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-(3-phenylpropanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-(3-phenylpropanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C20H21N3O5 |
| Smiles | OC(COc1c(/C=N\NC(CNC(CCc2ccccc2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C20H21N3O5/c24-18(11-10-15-6-2-1-3-7-15)21-13-19(25)23-22-12-16-8-4-5-9-17(16)28-14-20(26)27/h1-9,12H,10-11,13-14H2,(H,21,24)(H,23,25)(H,26,27) |
| InChIK | JDHVHAHENHHWSZ-UHFFFAOYSA-N |
| TotalMolweight | 383.403 |
| Molweight | 383.403 |
| MonoisotopicMass | 383.148122 |
| CLogP | 1.7978 |
| CLogS | -3.516 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 305.34 |
| Relative PSA | 0.31653 |
| PolarSurfaceArea | 117.09 |
| Druglikeness | 4.3262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-(3-phenylpropanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-(3-phenylpropanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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