(8E)-8-(phenylhydrazinylidene)-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaen-18-one
Formula:C21H17N3OS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(8E)-8-(phenylhydrazinylidene)-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaen-18-one is not a drug-like molecule.
| MolName | (8E)-8-(phenylhydrazinylidene)-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaen-18-one |
| MolecularFormula | C21H17N3OS2 |
| Smiles | O=C(c1c2cccc1)N(Cc1c3ccs1)C2SC/C3=N/Nc1ccccc1 |
| InChI | InChI=1S/C21H17N3OS2/c25-20-15-8-4-5-9-16(15)21-24(20)12-19-17(10-11-26-19)18(13-27-21)23-22-14-6-2-1-3-7-14/h1-11,21-22H,12-13H2/t21-/m0/s1 |
| InChIK | RHLYUSBCDWPBEO-NRFANRHFSA-N |
| TotalMolweight | 391.518 |
| Molweight | 391.518 |
| MonoisotopicMass | 391.081302 |
| CLogP | 5.5234 |
| CLogS | -4.911 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 281.71 |
| Relative PSA | 0.27479 |
| PolarSurfaceArea | 98.24 |
| Druglikeness | 5.576 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (8E)-8-(phenylhydrazinylidene)-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaen-18-one | 2 - (8E)-8-(phenylhydrazinylidene)-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaen-18-one
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