4-(2-chlorophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
Formula:C13H10N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(2-chlorophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide is a drug-like molecule.
| MolName | 4-(2-chlorophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide |
| MolecularFormula | C13H10N3O4Cl |
| Smiles | N/C(/c(cc1)cc([N+]([O-])=O)c1Oc(cccc1)c1Cl)=N/O |
| InChI | InChI=1S/C13H10ClN3O4/c14-9-3-1-2-4-11(9)21-12-6-5-8(13(15)16-18)7-10(12)17(19)20/h1-7,18H,(H2,15,16) |
| InChIK | JASJRKPHJVGORG-UHFFFAOYSA-N |
| TotalMolweight | 307.692 |
| Molweight | 307.692 |
| MonoisotopicMass | 307.035984 |
| CLogP | 2.4483 |
| CLogS | -5.573 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 219.95 |
| Relative PSA | 0.36508 |
| PolarSurfaceArea | 113.66 |
| Druglikeness | -6.4725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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