(NZ)-N-(1-hydroxy-2-phenyl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine
Formula:C13H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(1-hydroxy-2-phenyl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-(1-hydroxy-2-phenyl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine |
| MolecularFormula | C13H13N3O2 |
| Smiles | On1c(-c2ccccc2)nc2c1CCC/C2=N/O |
| InChI | InChI=1S/C13H13N3O2/c17-15-10-7-4-8-11-12(10)14-13(16(11)18)9-5-2-1-3-6-9/h1-3,5-6,17-18H,4,7-8H2 |
| InChIK | FOTAKYZZXWKROI-UHFFFAOYSA-N |
| TotalMolweight | 243.265 |
| Molweight | 243.265 |
| MonoisotopicMass | 243.100777 |
| CLogP | 2.3227 |
| CLogS | -6.656 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 184.43 |
| Relative PSA | 0.3012 |
| PolarSurfaceArea | 70.64 |
| Druglikeness | -2.1273 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NZ)-N-(1-hydroxy-2-phenyl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine | 2 - (NZ)-N-(1-hydroxy-2-phenyl-6,7-dihydro-5H-benzimidazol-4-ylidene)hydroxylamine
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