3-(benzimidazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
Formula:C15H14N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(benzimidazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(benzimidazol-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide |
| MolecularFormula | C15H14N4O2 |
| Smiles | O=C(CCn1c(cccc2)c2nc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C15H14N4O2/c20-15(18-17-10-12-4-3-9-21-12)7-8-19-11-16-13-5-1-2-6-14(13)19/h1-6,9-11H,7-8H2,(H,18,20) |
| InChIK | MEISFQVVZSWLFH-UHFFFAOYSA-N |
| TotalMolweight | 282.302 |
| Molweight | 282.302 |
| MonoisotopicMass | 282.111676 |
| CLogP | 2.0717 |
| CLogS | -3.014 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 226.76 |
| Relative PSA | 0.2997 |
| PolarSurfaceArea | 72.42 |
| Druglikeness | 6.1807 |
| 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 | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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