6-[(Z)-(4-bromophenyl)methylideneamino]-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
Formula:C21H13N2O2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
6-[(Z)-(4-bromophenyl)methylideneamino]-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is not a drug-like molecule.
| MolName | 6-[(Z)-(4-bromophenyl)methylideneamino]-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione |
| MolecularFormula | C21H13N2O2Br |
| Smiles | O=C(c1c2c(C3=O)ccc(CC4)c2c4cc1)N3/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C21H13BrN2O2/c22-15-7-1-12(2-8-15)11-23-24-20(25)16-9-5-13-3-4-14-6-10-17(21(24)26)19(16)18(13)14/h1-2,5-11H,3-4H2 |
| InChIK | JTFPCQCKLWWLHO-UHFFFAOYSA-N |
| TotalMolweight | 405.25 |
| Molweight | 405.25 |
| MonoisotopicMass | 404.016039 |
| CLogP | 5.0441 |
| CLogS | -6.574 |
| H Acceptors | 4 |
| TotalSurfaceArea | 257.33 |
| Relative PSA | 0.15987 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 0.85171 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| StereoCon |
Click to Load Molecule:
1 - 6-[(Z)-(4-bromophenyl)methylideneamino]-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione | 2 - 6-[(Z)-(4-bromophenyl)methylideneamino]-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
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