2-[3-[(Z)-(carbamoylhydrazinylidene)methyl]indol-1-yl]acetamide
Formula:C12H13N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-(carbamoylhydrazinylidene)methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-(carbamoylhydrazinylidene)methyl]indol-1-yl]acetamide |
| MolecularFormula | C12H13N5O2 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(N)=O)c1)=O |
| InChI | InChI=1S/C12H13N5O2/c13-11(18)7-17-6-8(5-15-16-12(14)19)9-3-1-2-4-10(9)17/h1-6H,7H2,(H2,13,18)(H3,14,16,19) |
| InChIK | CZWLKNSUJFKHGI-UHFFFAOYSA-N |
| TotalMolweight | 259.268 |
| Molweight | 259.268 |
| MonoisotopicMass | 259.106925 |
| CLogP | -0.1106 |
| CLogS | -2.558 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 199.58 |
| Relative PSA | 0.43321 |
| PolarSurfaceArea | 115.5 |
| Druglikeness | 6.8406 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-(carbamoylhydrazinylidene)methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-(carbamoylhydrazinylidene)methyl]indol-1-yl]acetamide
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