(NZ)-N-[2-(4-fluorophenyl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine
Formula:C13H12N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[2-(4-fluorophenyl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[2-(4-fluorophenyl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine |
| MolecularFormula | C13H12N3O2F |
| Smiles | On1c(-c(cc2)ccc2F)nc2c1CCC/C2=N/O |
| InChI | InChI=1S/C13H12FN3O2/c14-9-6-4-8(5-7-9)13-15-12-10(16-18)2-1-3-11(12)17(13)19/h4-7,18-19H,1-3H2 |
| InChIK | ADFKMGPTFALQBU-UHFFFAOYSA-N |
| TotalMolweight | 261.255 |
| Molweight | 261.255 |
| MonoisotopicMass | 261.091355 |
| CLogP | 2.4235 |
| CLogS | -6.97 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 190.78 |
| Relative PSA | 0.29117 |
| PolarSurfaceArea | 70.64 |
| Druglikeness | -3.4673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-[2-(4-fluorophenyl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine | 2 - (NZ)-N-[2-(4-fluorophenyl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine
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