(E)-3-(3-chlorophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)prop-2-enamide
Formula:C19H17N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)prop-2-enamide |
| MolecularFormula | C19H17N2OClS |
| Smiles | N#Cc1c(NC(/C=C/c2cccc(Cl)c2)=O)sc2c1CCCCC2 |
| InChI | InChI=1S/C19H17ClN2OS/c20-14-6-4-5-13(11-14)9-10-18(23)22-19-16(12-21)15-7-2-1-3-8-17(15)24-19/h4-6,9-11H,1-3,7-8H2,(H,22,23) |
| InChIK | PJGKYGBZNNNBRG-UHFFFAOYSA-N |
| TotalMolweight | 356.876 |
| Molweight | 356.876 |
| MonoisotopicMass | 356.07501 |
| CLogP | 5.1329 |
| CLogS | -6.529 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277.1 |
| Relative PSA | 0.21083 |
| PolarSurfaceArea | 81.13 |
| Druglikeness | -7.6486 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(3-chlorophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)prop-2-enamide | 2 - (E)-3-(3-chlorophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)prop-2-enamide
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