N-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
Formula:C15H13N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine |
| MolecularFormula | C15H13N5S |
| Smiles | C(C1)Cc2c1c1c(N/N=C\c3cnccc3)ncnc1s2 |
| InChI | InChI=1S/C15H13N5S/c1-4-11-12(5-1)21-15-13(11)14(17-9-18-15)20-19-8-10-3-2-6-16-7-10/h2-3,6-9H,1,4-5H2,(H,17,18,20) |
| InChIK | SMQNNLJSMZILCX-UHFFFAOYSA-N |
| TotalMolweight | 295.369 |
| Molweight | 295.369 |
| MonoisotopicMass | 295.089165 |
| CLogP | 4.5606 |
| CLogS | -4.773 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 223.84 |
| Relative PSA | 0.3406 |
| PolarSurfaceArea | 91.3 |
| Druglikeness | 0.9888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine | 2 - N-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
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