2-[2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C21H19N3O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C21H19N3O4 |
| Smiles | OC(COc1c(/C=N\NC(CNc2cc3ccccc3cc2)=O)cccc1)=O |
| InChI | InChI=1S/C21H19N3O4/c25-20(13-22-18-10-9-15-5-1-2-6-16(15)11-18)24-23-12-17-7-3-4-8-19(17)28-14-21(26)27/h1-12,22H,13-14H2,(H,24,25)(H,26,27) |
| InChIK | JRSZKZJTECNYGV-UHFFFAOYSA-N |
| TotalMolweight | 377.399 |
| Molweight | 377.399 |
| MonoisotopicMass | 377.137557 |
| CLogP | 2.7479 |
| CLogS | -4.942 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 294.67 |
| Relative PSA | 0.28374 |
| PolarSurfaceArea | 100.02 |
| Druglikeness | 4.8694 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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