N-[(Z)-(3,4-difluorophenyl)methylideneamino]-1H-benzimidazol-2-amine
Formula:C14H10N4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3,4-difluorophenyl)methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C14H10N4F2 |
| Smiles | Fc(ccc(/C=N\Nc1nc(cccc2)c2[nH]1)c1)c1F |
| InChI | InChI=1S/C14H10F2N4/c15-10-6-5-9(7-11(10)16)8-17-20-14-18-12-3-1-2-4-13(12)19-14/h1-8H,(H2,18,19,20) |
| InChIK | PBNOFRNDWOUJHM-UHFFFAOYSA-N |
| TotalMolweight | 272.257 |
| Molweight | 272.257 |
| MonoisotopicMass | 272.087352 |
| CLogP | 5.0116 |
| CLogS | -4.259 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 204.87 |
| Relative PSA | 0.23395 |
| PolarSurfaceArea | 53.07 |
| Druglikeness | 1.9259 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(3,4-difluorophenyl)methylideneamino]-1H-benzimidazol-2-amine | 2 - N-[(Z)-(3,4-difluorophenyl)methylideneamino]-1H-benzimidazol-2-amine
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