N-[(Z)-thiophen-2-ylmethylideneamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
Formula:C13H12N6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine |
| MolecularFormula | C13H12N6S |
| Smiles | C1Cc2nc3ncnn3c(N/N=C\c3cccs3)c2C1 |
| InChI | InChI=1S/C13H12N6S/c1-4-10-11(5-1)17-13-14-8-16-19(13)12(10)18-15-7-9-3-2-6-20-9/h2-3,6-8,18H,1,4-5H2 |
| InChIK | QVVCKEQVVBLQQE-UHFFFAOYSA-N |
| TotalMolweight | 284.346 |
| Molweight | 284.346 |
| MonoisotopicMass | 284.084414 |
| CLogP | 3.5274 |
| CLogS | -2.246 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 214.49 |
| Relative PSA | 0.39251 |
| PolarSurfaceArea | 95.71 |
| Druglikeness | 3.7114 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-thiophen-2-ylmethylideneamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine | 2 - N-[(Z)-thiophen-2-ylmethylideneamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
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