N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethylidene]amino]aniline
Formula:C21H17N4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethylidene]amino]aniline |
| MolecularFormula | C21H17N4Cl |
| Smiles | Clc1cc(/C(/Cc2nc(cccc3)c3[nH]2)=N/Nc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H17ClN4/c22-16-8-6-7-15(13-16)20(26-25-17-9-2-1-3-10-17)14-21-23-18-11-4-5-12-19(18)24-21/h1-13,25H,14H2,(H,23,24) |
| InChIK | KTSSXWGFRCFMAD-UHFFFAOYSA-N |
| TotalMolweight | 360.847 |
| Molweight | 360.847 |
| MonoisotopicMass | 360.114173 |
| CLogP | 6.3158 |
| CLogS | -4.875 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 279.32 |
| Relative PSA | 0.1716 |
| PolarSurfaceArea | 53.07 |
| Druglikeness | 2.1375 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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