5-chloro-N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C20H13N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-chloro-N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-chloro-N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C20H13N4O2Cl |
| Smiles | N#CCn1c(cccc2)c2c(/C=N\NC(c2cc(cc(cc3)Cl)c3o2)=O)c1 |
| InChI | InChI=1S/C20H13ClN4O2/c21-15-5-6-18-13(9-15)10-19(27-18)20(26)24-23-11-14-12-25(8-7-22)17-4-2-1-3-16(14)17/h1-6,9-12H,8H2,(H,24,26) |
| InChIK | NPGSPGQSGQMYDH-UHFFFAOYSA-N |
| TotalMolweight | 376.802 |
| Molweight | 376.802 |
| MonoisotopicMass | 376.072703 |
| CLogP | 3.987 |
| CLogS | -5.981 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 285.97 |
| Relative PSA | 0.2467 |
| PolarSurfaceArea | 83.32 |
| Druglikeness | 1.9938 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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