N-[(Z)-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]aniline
Formula:C21H18N4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]aniline |
| MolecularFormula | C21H18N4 |
| Smiles | C(/C(/c1ccccc1)=N/Nc1ccccc1)c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C21H18N4/c1-3-9-16(10-4-1)20(25-24-17-11-5-2-6-12-17)15-21-22-18-13-7-8-14-19(18)23-21/h1-14,24H,15H2,(H,22,23) |
| InChIK | GPJXKSUKJQPNSS-UHFFFAOYSA-N |
| TotalMolweight | 326.402 |
| Molweight | 326.402 |
| MonoisotopicMass | 326.153146 |
| CLogP | 5.7098 |
| CLogS | -4.139 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 263.9 |
| Relative PSA | 0.18162 |
| PolarSurfaceArea | 53.07 |
| Druglikeness | 2.1025 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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