(2Z,5Z)-2,5-bis(pyridin-4-ylmethylidene)cyclopentan-1-one
Formula:C17H14N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,5Z)-2,5-bis(pyridin-4-ylmethylidene)cyclopentan-1-one is a drug-like molecule.
| MolName | (2Z,5Z)-2,5-bis(pyridin-4-ylmethylidene)cyclopentan-1-one |
| MolecularFormula | C17H14N2O |
| Smiles | O=C(/C(/CC1)=C\c2ccncc2)/C1=C\c1ccncc1 |
| InChI | InChI=1S/C17H14N2O/c20-17-15(11-13-3-7-18-8-4-13)1-2-16(17)12-14-5-9-19-10-6-14/h3-12H,1-2H2 |
| InChIK | VJTIKIQJUZWNSW-UHFFFAOYSA-N |
| TotalMolweight | 262.311 |
| Molweight | 262.311 |
| MonoisotopicMass | 262.110613 |
| CLogP | 2.4942 |
| CLogS | -2.73 |
| H Acceptors | 3 |
| TotalSurfaceArea | 211.73 |
| Relative PSA | 0.16521 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | -0.086834 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z,5Z)-2,5-bis(pyridin-4-ylmethylidene)cyclopentan-1-one | 2 - (2Z,5Z)-2,5-bis(pyridin-4-ylmethylidene)cyclopentan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off