N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-(1H-indol-2-yl)acetamide
Formula:C17H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-(1H-indol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-(1H-indol-2-yl)acetamide |
| MolecularFormula | C17H19N3O |
| Smiles | O=C(Cc1cc(cccc2)c2[nH]1)N/N=C\C1CC=CCC1 |
| InChI | InChI=1S/C17H19N3O/c21-17(20-18-12-13-6-2-1-3-7-13)11-15-10-14-8-4-5-9-16(14)19-15/h1-2,4-5,8-10,12-13,19H,3,6-7,11H2,(H,20,21)/t13-/m1/s1 |
| InChIK | MAFHAMKFXJWOPL-CYBMUJFWSA-N |
| TotalMolweight | 281.358 |
| Molweight | 281.358 |
| MonoisotopicMass | 281.152812 |
| CLogP | 2.6071 |
| CLogS | -4.085 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 231.94 |
| Relative PSA | 0.21557 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 0.0095493 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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