N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide
Formula:C15H12N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide |
| MolecularFormula | C15H12N4O2 |
| Smiles | O=C(c(cc1)cc2c1nc[nH]2)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C15H12N4O2/c20-15(11-5-6-13-14(9-11)17-10-16-13)19-18-7-1-3-12-4-2-8-21-12/h1-10H,(H,16,17)(H,19,20) |
| InChIK | WFKGNJREFYHVRZ-UHFFFAOYSA-N |
| TotalMolweight | 280.286 |
| Molweight | 280.286 |
| MonoisotopicMass | 280.096026 |
| CLogP | 2.0082 |
| CLogS | -3.906 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 226.11 |
| Relative PSA | 0.33205 |
| PolarSurfaceArea | 83.28 |
| Druglikeness | 4.6754 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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