N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-benzimidazol-2-amine
Formula:C16H14N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-benzimidazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-benzimidazol-2-amine |
| MolecularFormula | C16H14N4 |
| Smiles | C(/C=N\Nc1nc(cccc2)c2[nH]1)=C/c1ccccc1 |
| InChI | InChI=1S/C16H14N4/c1-2-7-13(8-3-1)9-6-12-17-20-16-18-14-10-4-5-11-15(14)19-16/h1-12H,(H2,18,19,20) |
| InChIK | KPJPSAJGKAYSMB-UHFFFAOYSA-N |
| TotalMolweight | 262.315 |
| Molweight | 262.315 |
| MonoisotopicMass | 262.121846 |
| CLogP | 4.8283 |
| CLogS | -3.923 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 218.67 |
| Relative PSA | 0.21919 |
| PolarSurfaceArea | 53.07 |
| Druglikeness | 3.1877 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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