N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine
Formula:C22H14N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-[6-chloro-2-(4-chlorophenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine |
| MolecularFormula | C22H14N4OCl2 |
| Smiles | Clc(cc1)ccc1C(Oc(cc1)c2cc1Cl)=C/C2=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C22H14Cl2N4O/c23-14-7-5-13(6-8-14)21-12-19(16-11-15(24)9-10-20(16)29-21)27-28-22-25-17-3-1-2-4-18(17)26-22/h1-12H,(H2,25,26,28) |
| InChIK | MPCQVQLELKFJKR-UHFFFAOYSA-N |
| TotalMolweight | 421.286 |
| Molweight | 421.286 |
| MonoisotopicMass | 420.054465 |
| CLogP | 7.8019 |
| CLogS | -6.907 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 302.19 |
| Relative PSA | 0.1917 |
| PolarSurfaceArea | 62.3 |
| Druglikeness | 2.4365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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