2-[2-chloro-4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C19H15N2O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-chloro-4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-chloro-4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C19H15N2O5ClS |
| Smiles | OC(COc(ccc(/C=N\NS(c1cc2ccccc2cc1)(=O)=O)c1)c1Cl)=O |
| InChI | InChI=1S/C19H15ClN2O5S/c20-17-9-13(5-8-18(17)27-12-19(23)24)11-21-22-28(25,26)16-7-6-14-3-1-2-4-15(14)10-16/h1-11,22H,12H2,(H,23,24) |
| InChIK | NQSSGIYRAFDRBH-UHFFFAOYSA-N |
| TotalMolweight | 418.856 |
| Molweight | 418.856 |
| MonoisotopicMass | 418.03902 |
| CLogP | 3.1375 |
| CLogS | -4.051 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 295.7 |
| Relative PSA | 0.29655 |
| PolarSurfaceArea | 113.44 |
| Druglikeness | 2.987 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-chloro-4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[2-chloro-4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off