(8Z)-2-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile
Formula:C19H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8Z)-2-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile is a drug-like molecule.
| MolName | (8Z)-2-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile |
| MolecularFormula | C19H16N2O3 |
| Smiles | NC(OC(/C(/CCC1)=C\c2cocc2)=C1C1c2cocc2)=C1C#N |
| InChI | InChI=1S/C19H16N2O3/c20-9-16-17(14-5-7-23-11-14)15-3-1-2-13(18(15)24-19(16)21)8-12-4-6-22-10-12/h4-8,10-11,17H,1-3,21H2/t17-/m1/s1 |
| InChIK | VIOWGXQWUQYGJD-QGZVFWFLSA-N |
| TotalMolweight | 320.347 |
| Molweight | 320.347 |
| MonoisotopicMass | 320.116093 |
| CLogP | 3.0922 |
| CLogS | -5.997 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 249.96 |
| Relative PSA | 0.26824 |
| PolarSurfaceArea | 85.32 |
| Druglikeness | -7.5844 |
| 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 |
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1 - (8Z)-2-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile | 2 - (8Z)-2-amino-4-(furan-3-yl)-8-(furan-3-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile
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