(NZ)-N-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]hydroxylamine
Formula:C13H9N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]hydroxylamine |
| MolecularFormula | C13H9N3O6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1ccc(/C=N\O)cc1)=O |
| InChI | InChI=1S/C13H9N3O6/c17-14-8-9-1-4-11(5-2-9)22-13-6-3-10(15(18)19)7-12(13)16(20)21/h1-8,17H |
| InChIK | PXVZCMNGFFIFGT-UHFFFAOYSA-N |
| TotalMolweight | 303.229 |
| Molweight | 303.229 |
| MonoisotopicMass | 303.049137 |
| CLogP | 1.7667 |
| CLogS | -5.532 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 221.47 |
| Relative PSA | 0.43098 |
| PolarSurfaceArea | 133.46 |
| Druglikeness | -6.1772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (NZ)-N-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]hydroxylamine | 2 - (NZ)-N-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]hydroxylamine
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