N-[(Z)-pyridin-3-ylmethylideneamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
Formula:C14H13N7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-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)-pyridin-3-ylmethylideneamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine |
| MolecularFormula | C14H13N7 |
| Smiles | C1Cc2nc3ncnn3c(N/N=C\c3cnccc3)c2C1 |
| InChI | InChI=1S/C14H13N7/c1-4-11-12(5-1)19-14-16-9-18-21(14)13(11)20-17-8-10-3-2-6-15-7-10/h2-3,6-9,20H,1,4-5H2 |
| InChIK | JQYYHDZIYIPTDM-UHFFFAOYSA-N |
| TotalMolweight | 279.306 |
| Molweight | 279.306 |
| MonoisotopicMass | 279.123243 |
| CLogP | 2.6599 |
| CLogS | -1.441 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 217.31 |
| Relative PSA | 0.34421 |
| PolarSurfaceArea | 80.36 |
| Druglikeness | 2.3685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-pyridin-3-ylmethylideneamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine | 2 - N-[(Z)-pyridin-3-ylmethylideneamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
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