2-cyano-N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]acetamide
Formula:C14H11N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]acetamide |
| MolecularFormula | C14H11N5O |
| Smiles | N#CCC(N/N=C\c1cn(CC#N)c2c1cccc2)=O |
| InChI | InChI=1S/C14H11N5O/c15-6-5-14(20)18-17-9-11-10-19(8-7-16)13-4-2-1-3-12(11)13/h1-4,9-10H,5,8H2,(H,18,20) |
| InChIK | SHUYJIRGGDDNCB-UHFFFAOYSA-N |
| TotalMolweight | 265.275 |
| Molweight | 265.275 |
| MonoisotopicMass | 265.09636 |
| CLogP | 1.1316 |
| CLogS | -3.31 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 221.97 |
| Relative PSA | 0.31536 |
| PolarSurfaceArea | 93.97 |
| Druglikeness | -1.1604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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