N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide
Formula:C17H14N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C17H14N6O |
| Smiles | N#CCCn1c(cccc2)c2c(/C=N\NC(c2nccnc2)=O)c1 |
| InChI | InChI=1S/C17H14N6O/c18-6-3-9-23-12-13(14-4-1-2-5-16(14)23)10-21-22-17(24)15-11-19-7-8-20-15/h1-2,4-5,7-8,10-12H,3,9H2,(H,22,24) |
| InChIK | RSNDPTCXLCIBHT-UHFFFAOYSA-N |
| TotalMolweight | 318.339 |
| Molweight | 318.339 |
| MonoisotopicMass | 318.122909 |
| CLogP | 1.382 |
| CLogS | -2.766 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 257.54 |
| Relative PSA | 0.30434 |
| PolarSurfaceArea | 95.96 |
| Druglikeness | -0.97211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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