4-chloro-2-[(Z)-(2-hydroxyethylhydrazinylidene)methyl]-6-nitrophenolate
Formula:C9H9N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-[(Z)-(2-hydroxyethylhydrazinylidene)methyl]-6-nitrophenolate is a drug-like molecule.
| MolName | 4-chloro-2-[(Z)-(2-hydroxyethylhydrazinylidene)methyl]-6-nitrophenolate |
| MolecularFormula | C9H9N3O4Cl |
| Smiles | [O-]c(c(/C=N\NCCO)cc(Cl)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C9H10ClN3O4/c10-7-3-6(5-12-11-1-2-14)9(15)8(4-7)13(16)17/h3-5,11,14-15H,1-2H2/p-1 |
| InChIK | FTNHMHUPTPLDRQ-UHFFFAOYSA-M |
| TotalMolweight | 258.64 |
| Molweight | 258.64 |
| MonoisotopicMass | 258.028159 |
| CLogP | -1.0586 |
| CLogS | -2.962 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 189.97 |
| Relative PSA | 0.42517 |
| PolarSurfaceArea | 113.5 |
| Druglikeness | -2.6454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-2-[(Z)-(2-hydroxyethylhydrazinylidene)methyl]-6-nitrophenolate | 2 - 4-chloro-2-[(Z)-(2-hydroxyethylhydrazinylidene)methyl]-6-nitrophenolate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off