| MolName | N-[(Z)-[2-(4-chlorophenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine |
| MolecularFormula | C22H15N4OCl |
| Smiles | Clc(cc1)ccc1C(Oc1c2cccc1)=C/C2=N/Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C22H15ClN4O/c23-15-11-9-14(10-12-15)21-13-19(16-5-1-4-8-20(16)28-21)26-27-22-24-17-6-2-3-7-18(17)25-22/h1-13H,(H2,24,25,27) |
| InChIK | OLBSHNGYZJGYDR-UHFFFAOYSA-N |
| TotalMolweight | 386.841 |
| Molweight | 386.841 |
| MonoisotopicMass | 386.093438 |
| CLogP | 7.1959 |
| CLogS | -6.171 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 286.77 |
| Relative PSA | 0.20201 |
| PolarSurfaceArea | 62.3 |
| Druglikeness | 2.4365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(4-chlorophenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine | 2 - N-[(Z)-[2-(4-chlorophenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine