(NZ)-N-[1-hydroxy-2-(4-nitrophenyl)-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine
Formula:C13H12N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[1-hydroxy-2-(4-nitrophenyl)-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[1-hydroxy-2-(4-nitrophenyl)-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine |
| MolecularFormula | C13H12N4O4 |
| Smiles | [O-][N+](c(cc1)ccc1-c1nc(/C(/CCC2)=N\O)c2n1O)=O |
| InChI | InChI=1S/C13H12N4O4/c18-15-10-2-1-3-11-12(10)14-13(16(11)19)8-4-6-9(7-5-8)17(20)21/h4-7,18-19H,1-3H2 |
| InChIK | HMHJWHQUPZCNFU-UHFFFAOYSA-N |
| TotalMolweight | 288.262 |
| Molweight | 288.262 |
| MonoisotopicMass | 288.085856 |
| CLogP | 1.2307 |
| CLogS | -7.116 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 208.1 |
| Relative PSA | 0.41312 |
| PolarSurfaceArea | 116.46 |
| Druglikeness | -7.1992 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NZ)-N-[1-hydroxy-2-(4-nitrophenyl)-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine | 2 - (NZ)-N-[1-hydroxy-2-(4-nitrophenyl)-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine
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