6-chloro-5-[(Z)-(phenylhydrazinylidene)methyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
Formula:C22H20N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
6-chloro-5-[(Z)-(phenylhydrazinylidene)methyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one is not a drug-like molecule.
| MolName | 6-chloro-5-[(Z)-(phenylhydrazinylidene)methyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one |
| MolecularFormula | C22H20N3O2Cl |
| Smiles | O=C1Oc(c2c(c(CCC3)c4)N3CCC2)c4C(Cl)=C1/C=N\Nc1ccccc1 |
| InChI | InChI=1S/C22H20ClN3O2/c23-19-17-12-14-6-4-10-26-11-5-9-16(20(14)26)21(17)28-22(27)18(19)13-24-25-15-7-2-1-3-8-15/h1-3,7-8,12-13,25H,4-6,9-11H2 |
| InChIK | OKAZSONZEBKCOP-UHFFFAOYSA-N |
| TotalMolweight | 393.873 |
| Molweight | 393.873 |
| MonoisotopicMass | 393.124404 |
| CLogP | 5.6175 |
| CLogS | -3.834 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.69 |
| Relative PSA | 0.17227 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | 3.8371 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB; allyl/benzyl chloride; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-chloro-5-[(Z)-(phenylhydrazinylidene)methyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one | 2 - 6-chloro-5-[(Z)-(phenylhydrazinylidene)methyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
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