N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2-nitrophenyl)ethenyl]benzamide
Formula:C22H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2-nitrophenyl)ethenyl]benzamide is a drug-like molecule.
| MolName | N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2-nitrophenyl)ethenyl]benzamide |
| MolecularFormula | C22H16N4O3 |
| Smiles | [O-][N+](c1c(/C=C(\c2nc(cccc3)c3[nH]2)/NC(c2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C22H16N4O3/c27-22(15-8-2-1-3-9-15)25-19(14-16-10-4-7-13-20(16)26(28)29)21-23-17-11-5-6-12-18(17)24-21/h1-14H,(H,23,24)(H,25,27) |
| InChIK | UKWPZVCJZGIJFG-UHFFFAOYSA-N |
| TotalMolweight | 384.394 |
| Molweight | 384.394 |
| MonoisotopicMass | 384.122241 |
| CLogP | 3.0128 |
| CLogS | -4.684 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 293.3 |
| Relative PSA | 0.27235 |
| PolarSurfaceArea | 103.6 |
| Druglikeness | -2.8675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.41379 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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