(E)-N-(2-chlorophenyl)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide
Formula:C21H15N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-chlorophenyl)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-chlorophenyl)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide |
| MolecularFormula | C21H15N4OCl |
| Smiles | N#CCCn1c(cccc2)c2c(/C=C(/C(Nc(cccc2)c2Cl)=O)\C#N)c1 |
| InChI | InChI=1S/C21H15ClN4O/c22-18-7-2-3-8-19(18)25-21(27)15(13-24)12-16-14-26(11-5-10-23)20-9-4-1-6-17(16)20/h1-4,6-9,12,14H,5,11H2,(H,25,27) |
| InChIK | PUCJUCRCUGSRAS-UHFFFAOYSA-N |
| TotalMolweight | 374.83 |
| Molweight | 374.83 |
| MonoisotopicMass | 374.093438 |
| CLogP | 3.7225 |
| CLogS | -5.117 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.1 |
| Relative PSA | 0.19687 |
| PolarSurfaceArea | 81.61 |
| Druglikeness | -2.8486 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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