(8E)-2-amino-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
Formula:C23H18N2OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8E)-2-amino-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile is not a drug-like molecule.
| MolName | (8E)-2-amino-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile |
| MolecularFormula | C23H18N2OBr2 |
| Smiles | NC(OC(/C(/CCC1)=C/c(cc2)ccc2Br)=C1C1c(cc2)ccc2Br)=C1C#N |
| InChI | InChI=1S/C23H18Br2N2O/c24-17-8-4-14(5-9-17)12-16-2-1-3-19-21(15-6-10-18(25)11-7-15)20(13-26)23(27)28-22(16)19/h4-12,21H,1-3,27H2/t21-/m0/s1 |
| InChIK | JBVAZYLNOKGSLO-NRFANRHFSA-N |
| TotalMolweight | 498.217 |
| Molweight | 498.217 |
| MonoisotopicMass | 495.978585 |
| CLogP | 6.2732 |
| CLogS | -8.349 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 307.84 |
| Relative PSA | 0.12614 |
| PolarSurfaceArea | 59.04 |
| Druglikeness | -9.0694 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.53571 |
| 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 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (8E)-2-amino-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile | 2 - (8E)-2-amino-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
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