11-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Formula:C15H12N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
11-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is a drug-like molecule.
| MolName | 11-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one |
| MolecularFormula | C15H12N4OS |
| Smiles | O=C(c1c(N=C2)sc3c1CCC3)N2/N=C\c1cnccc1 |
| InChI | InChI=1S/C15H12N4OS/c20-15-13-11-4-1-5-12(11)21-14(13)17-9-19(15)18-8-10-3-2-6-16-7-10/h2-3,6-9H,1,4-5H2 |
| InChIK | DMINYAARORHCLW-UHFFFAOYSA-N |
| TotalMolweight | 296.353 |
| Molweight | 296.353 |
| MonoisotopicMass | 296.073181 |
| CLogP | 2.3421 |
| CLogS | -3.986 |
| H Acceptors | 5 |
| TotalSurfaceArea | 219.57 |
| Relative PSA | 0.32309 |
| PolarSurfaceArea | 86.16 |
| Druglikeness | 3.6583 |
| 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 | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 11-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one | 2 - 11-[(Z)-pyridin-3-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off