N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1H-benzimidazol-2-amine
Formula:C14H10N4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C14H10N4Cl2 |
| Smiles | Clc(cccc1/C=N\Nc2nc(cccc3)c3[nH]2)c1Cl |
| InChI | InChI=1S/C14H10Cl2N4/c15-10-5-3-4-9(13(10)16)8-17-20-14-18-11-6-1-2-7-12(11)19-14/h1-8H,(H2,18,19,20) |
| InChIK | FLMDFSWNEOMCCE-UHFFFAOYSA-N |
| TotalMolweight | 305.167 |
| Molweight | 305.167 |
| MonoisotopicMass | 304.02825 |
| CLogP | 6.022 |
| CLogS | -5.103 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 223.01 |
| Relative PSA | 0.21492 |
| PolarSurfaceArea | 53.07 |
| Druglikeness | 3.2477 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| 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)-(2,3-dichlorophenyl)methylideneamino]-1H-benzimidazol-2-amine | 2 - N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-1H-benzimidazol-2-amine
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