N-[(Z)-thiophen-2-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
Formula:C14H12N4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine is not a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine |
| MolecularFormula | C14H12N4S2 |
| Smiles | C(C1)Cc2c1c1c(N/N=C\c3cccs3)ncnc1s2 |
| InChI | InChI=1S/C14H12N4S2/c1-4-10-11(5-1)20-14-12(10)13(15-8-16-14)18-17-7-9-3-2-6-19-9/h2-3,6-8H,1,4-5H2,(H,15,16,18) |
| InChIK | ZWXWUKSQZWXXFY-UHFFFAOYSA-N |
| TotalMolweight | 300.409 |
| Molweight | 300.409 |
| MonoisotopicMass | 300.050336 |
| CLogP | 5.4281 |
| CLogS | -5.578 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.02 |
| Relative PSA | 0.38743 |
| PolarSurfaceArea | 106.65 |
| Druglikeness | 1.6235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-thiophen-2-ylmethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine | 2 - N-[(Z)-thiophen-2-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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