15,17,24-triazahexacyclo[12.11.0.02,11.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene
Formula:C22H13N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
15,17,24-triazahexacyclo[12.11.0.02,11.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene is not a drug-like molecule.
| MolName | 15,17,24-triazahexacyclo[12.11.0.02,11.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene |
| MolecularFormula | C22H13N3 |
| Smiles | c1ccc(cc(c2c(cc3)[nH]c4nc5ccccc5nc24)c3c2)c2c1 |
| InChI | InChI=1S/C22H13N3/c1-2-6-14-12-16-15(11-13(14)5-1)9-10-19-20(16)21-22(25-19)24-18-8-4-3-7-17(18)23-21/h1-12H,(H,24,25) |
| InChIK | NUPYGLAPWAEILX-UHFFFAOYSA-N |
| TotalMolweight | 319.366 |
| Molweight | 319.366 |
| MonoisotopicMass | 319.110947 |
| CLogP | 5.2477 |
| CLogS | -7.4 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.35 |
| Relative PSA | 0.15397 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | -0.82797 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 25 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 15,17,24-triazahexacyclo[12.11.0.02,11.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene | 2 - 15,17,24-triazahexacyclo[12.11.0.02,11.04,9.016,25.018,23]pentacosa-1(14),2,4,6,8,10,12,16,18,20,22,24-dodecaene
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