4-amino-N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide
Formula:C22H16N5O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide |
| MolecularFormula | C22H16N5O3Cl |
| Smiles | Nc(cc1)ccc1C(N/C(/c1nc(ccc(Cl)c2)c2[nH]1)=C/c1cc([N+]([O-])=O)ccc1)=O |
| InChI | InChI=1S/C22H16ClN5O3/c23-15-6-9-18-19(12-15)26-21(25-18)20(11-13-2-1-3-17(10-13)28(30)31)27-22(29)14-4-7-16(24)8-5-14/h1-12H,24H2,(H,25,26)(H,27,29) |
| InChIK | LJKRWQUQDCHKMO-UHFFFAOYSA-N |
| TotalMolweight | 433.854 |
| Molweight | 433.854 |
| MonoisotopicMass | 433.094167 |
| CLogP | 2.9415 |
| CLogS | -5.496 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 317.24 |
| Relative PSA | 0.29993 |
| PolarSurfaceArea | 129.62 |
| Druglikeness | -2.7977 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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