9-oxo-2,10,14,21-tetrazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3,5,7,11,13,15,17,19-nonaene-12-carbonitrile
Formula:C18H9N5O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
9-oxo-2,10,14,21-tetrazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3,5,7,11,13,15,17,19-nonaene-12-carbonitrile is a drug-like molecule.
| MolName | 9-oxo-2,10,14,21-tetrazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3,5,7,11,13,15,17,19-nonaene-12-carbonitrile |
| MolecularFormula | C18H9N5O |
| Smiles | N#Cc(c1nc2ccccc2nc11)c(N2)n1-c(cccc1)c1C2=O |
| InChI | InChI=1S/C18H9N5O/c19-9-11-15-17(21-13-7-3-2-6-12(13)20-15)23-14-8-4-1-5-10(14)18(24)22-16(11)23/h1-8H,(H,22,24) |
| InChIK | SRCAGICKHRQZJE-UHFFFAOYSA-N |
| TotalMolweight | 311.303 |
| Molweight | 311.303 |
| MonoisotopicMass | 311.08071 |
| CLogP | 2.3118 |
| CLogS | -7.7 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 226.36 |
| Relative PSA | 0.29541 |
| PolarSurfaceArea | 83.6 |
| Druglikeness | -2.1324 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 9-oxo-2,10,14,21-tetrazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3,5,7,11,13,15,17,19-nonaene-12-carbonitrile | 2 - 9-oxo-2,10,14,21-tetrazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3,5,7,11,13,15,17,19-nonaene-12-carbonitrile
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