4-(3,4-dichlorophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
Formula:C13H9N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-(3,4-dichlorophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide is a drug-like molecule.
| MolName | 4-(3,4-dichlorophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide |
| MolecularFormula | C13H9N3O4Cl2 |
| Smiles | N/C(/c(cc1)cc([N+]([O-])=O)c1Oc(cc1)cc(Cl)c1Cl)=N/O |
| InChI | InChI=1S/C13H9Cl2N3O4/c14-9-3-2-8(6-10(9)15)22-12-4-1-7(13(16)17-19)5-11(12)18(20)21/h1-6,19H,(H2,16,17) |
| InChIK | UBNMLABOZRYPAI-UHFFFAOYSA-N |
| TotalMolweight | 342.137 |
| Molweight | 342.137 |
| MonoisotopicMass | 340.997011 |
| CLogP | 3.0543 |
| CLogS | -6.309 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 235.37 |
| Relative PSA | 0.34116 |
| PolarSurfaceArea | 113.66 |
| Druglikeness | -6.4725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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