(8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
Formula:C23H18N2OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile is not a drug-like molecule.
| MolName | (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile |
| MolecularFormula | C23H18N2OCl2 |
| Smiles | NC(OC(/C(/CCC1)=C\c(cccc2)c2Cl)=C1C1c(cccc2)c2Cl)=C1C#N |
| InChI | InChI=1S/C23H18Cl2N2O/c24-19-10-3-1-6-14(19)12-15-7-5-9-17-21(16-8-2-4-11-20(16)25)18(13-26)23(27)28-22(15)17/h1-4,6,8,10-12,21H,5,7,9,27H2/t21-/m0/s1 |
| InChIK | VSTMMBBVSFNUGV-NRFANRHFSA-N |
| TotalMolweight | 409.315 |
| Molweight | 409.315 |
| MonoisotopicMass | 408.079617 |
| CLogP | 6.0348 |
| CLogS | -8.153 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 301.42 |
| Relative PSA | 0.12882 |
| PolarSurfaceArea | 59.04 |
| Druglikeness | -7.1733 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile | 2 - (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
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