(Z)-2-cyano-3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C17H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-cyano-3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (Z)-2-cyano-3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C17H17N3O2 |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C/c1c[nH]c2c1cccc2 |
| InChI | InChI=1S/C17H17N3O2/c18-9-12(17(21)20-11-14-4-3-7-22-14)8-13-10-19-16-6-2-1-5-15(13)16/h1-2,5-6,8,10,14,19H,3-4,7,11H2,(H,20,21)/t14-/m1/s1 |
| InChIK | DMWZRMMVJNXHPH-CQSZACIVSA-N |
| TotalMolweight | 295.341 |
| Molweight | 295.341 |
| MonoisotopicMass | 295.132077 |
| CLogP | 1.6188 |
| CLogS | -3.473 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 237.1 |
| Relative PSA | 0.2617 |
| PolarSurfaceArea | 77.91 |
| Druglikeness | -2.5778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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