(2E)-2-[4-(cyanomethyl)phenyl]-2-[4-[4-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile
Formula:C22H14N4O2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(2E)-2-[4-(cyanomethyl)phenyl]-2-[4-[4-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile is a drug-like molecule.
| MolName | (2E)-2-[4-(cyanomethyl)phenyl]-2-[4-[4-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile |
| MolecularFormula | C22H14N4O2 |
| Smiles | N=C(C(C1=O)c2ccc(CC#N)cc2)O/C1=C(\c1ccc(CC#N)cc1)/C#N |
| InChI | InChI=1S/C22H14N4O2/c23-11-9-14-1-5-16(6-2-14)18(13-25)21-20(27)19(22(26)28-21)17-7-3-15(4-8-17)10-12-24/h1-8,19,26H,9-10H2/t19-/m0/s1 |
| InChIK | JONMXLHBUZOGNL-IBGZPJMESA-N |
| TotalMolweight | 366.379 |
| Molweight | 366.379 |
| MonoisotopicMass | 366.111676 |
| CLogP | 2.077 |
| CLogS | -4.195 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.65 |
| Relative PSA | 0.26829 |
| PolarSurfaceArea | 121.52 |
| Druglikeness | -8.5149 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2E)-2-[4-(cyanomethyl)phenyl]-2-[4-[4-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile | 2 - (2E)-2-[4-(cyanomethyl)phenyl]-2-[4-[4-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off