(8Z)-2-amino-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile
Formula:C19H16N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8Z)-2-amino-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile is a drug-like molecule.
| MolName | (8Z)-2-amino-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile |
| MolecularFormula | C19H16N2OS2 |
| Smiles | NC(OC(/C(/CCC1)=C\c2cccs2)=C1C1c2cccs2)=C1C#N |
| InChI | InChI=1S/C19H16N2OS2/c20-11-15-17(16-7-3-9-24-16)14-6-1-4-12(18(14)22-19(15)21)10-13-5-2-8-23-13/h2-3,5,7-10,17H,1,4,6,21H2/t17-/m1/s1 |
| InChIK | BCDUJGCUCBHRLL-QGZVFWFLSA-N |
| TotalMolweight | 352.481 |
| Molweight | 352.481 |
| MonoisotopicMass | 352.070403 |
| CLogP | 4.556 |
| CLogS | -6.701 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 262.46 |
| Relative PSA | 0.30309 |
| PolarSurfaceArea | 115.52 |
| Druglikeness | -5.2954 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (8Z)-2-amino-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile | 2 - (8Z)-2-amino-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off