(13Z)-2,3,4,5-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene
Formula:C15H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(13Z)-2,3,4,5-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene is a drug-like molecule.
| MolName | (13Z)-2,3,4,5-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene |
| MolecularFormula | C15H10N4 |
| Smiles | c(cc1)cc2c1-c1nnnn1-c(cccc1)c1/C=C2 |
| InChI | InChI=1S/C15H10N4/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)19-15(13)16-17-18-19/h1-10H |
| InChIK | GKNCEGAQFUILBC-UHFFFAOYSA-N |
| TotalMolweight | 246.272 |
| Molweight | 246.272 |
| MonoisotopicMass | 246.090546 |
| CLogP | 2.7486 |
| CLogS | -5.11 |
| H Acceptors | 4 |
| TotalSurfaceArea | 191.26 |
| Relative PSA | 0.20799 |
| PolarSurfaceArea | 43.6 |
| Druglikeness | 0.3525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 4 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - (13Z)-2,3,4,5-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene | 2 - (13Z)-2,3,4,5-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,5,7,9,11,13,15,17-nonaene
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