N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-cyanoacetamide
Formula:C14H13N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-cyanoacetamide |
| MolecularFormula | C14H13N5O2 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(CC#N)=O)c1)=O |
| InChI | InChI=1S/C14H13N5O2/c15-6-5-14(21)18-17-7-10-8-19(9-13(16)20)12-4-2-1-3-11(10)12/h1-4,7-8H,5,9H2,(H2,16,20)(H,18,21) |
| InChIK | SKZDNDCJXSMSCK-UHFFFAOYSA-N |
| TotalMolweight | 283.29 |
| Molweight | 283.29 |
| MonoisotopicMass | 283.106925 |
| CLogP | 0.2119 |
| CLogS | -2.713 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 226.53 |
| Relative PSA | 0.37412 |
| PolarSurfaceArea | 113.27 |
| Druglikeness | -0.20235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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