2-(benzotriazol-2-yl)-2-[(E)-3-phenylprop-2-enyl]cyclopentan-1-one
Formula:C20H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(benzotriazol-2-yl)-2-[(E)-3-phenylprop-2-enyl]cyclopentan-1-one is not a drug-like molecule.
| MolName | 2-(benzotriazol-2-yl)-2-[(E)-3-phenylprop-2-enyl]cyclopentan-1-one |
| MolecularFormula | C20H19N3O |
| Smiles | O=C(CCC1)C1(C/C=C/c1ccccc1)n1nc(cccc2)c2n1 |
| InChI | InChI=1S/C20H19N3O/c24-19-13-7-15-20(19,14-6-10-16-8-2-1-3-9-16)23-21-17-11-4-5-12-18(17)22-23/h1-6,8-12H,7,13-15H2/t20-/m0/s1 |
| InChIK | RWSVPQGLVCXPPE-FQEVSTJZSA-N |
| TotalMolweight | 317.391 |
| Molweight | 317.391 |
| MonoisotopicMass | 317.152812 |
| CLogP | 5.0288 |
| CLogS | -3.882 |
| H Acceptors | 4 |
| TotalSurfaceArea | 250.54 |
| Relative PSA | 0.16704 |
| PolarSurfaceArea | 47.78 |
| Druglikeness | -2.192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon | racemate |
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