(E)-3-anthracen-9-yl-2-cyano-N-cyclopentylprop-2-enamide
Formula:C23H20N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-anthracen-9-yl-2-cyano-N-cyclopentylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-anthracen-9-yl-2-cyano-N-cyclopentylprop-2-enamide |
| MolecularFormula | C23H20N2O |
| Smiles | N#C/C(/C(NC1CCCC1)=O)=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H20N2O/c24-15-18(23(26)25-19-9-3-4-10-19)14-22-20-11-5-1-7-16(20)13-17-8-2-6-12-21(17)22/h1-2,5-8,11-14,19H,3-4,9-10H2,(H,25,26) |
| InChIK | IRGFVPUMTWUVTB-UHFFFAOYSA-N |
| TotalMolweight | 340.425 |
| Molweight | 340.425 |
| MonoisotopicMass | 340.157563 |
| CLogP | 4.8821 |
| CLogS | -6.779 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.13 |
| Relative PSA | 0.13986 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -3.5177 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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