11-[(Z)-(3-nitrophenyl)methylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Formula:C16H12N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
11-[(Z)-(3-nitrophenyl)methylideneamino]-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)-(3-nitrophenyl)methylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one |
| MolecularFormula | C16H12N4O3S |
| Smiles | [O-][N+](c1cccc(/C=N\N(C=Nc2c3c(CCC4)c4s2)C3=O)c1)=O |
| InChI | InChI=1S/C16H12N4O3S/c21-16-14-12-5-2-6-13(12)24-15(14)17-9-19(16)18-8-10-3-1-4-11(7-10)20(22)23/h1,3-4,7-9H,2,5-6H2 |
| InChIK | FTCXZCRZVLBVEF-UHFFFAOYSA-N |
| TotalMolweight | 340.362 |
| Molweight | 340.362 |
| MonoisotopicMass | 340.063011 |
| CLogP | 2.4214 |
| CLogS | -5.241 |
| H Acceptors | 7 |
| TotalSurfaceArea | 244.48 |
| Relative PSA | 0.36972 |
| PolarSurfaceArea | 119.09 |
| Druglikeness | -1.4332 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 11-[(Z)-(3-nitrophenyl)methylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one | 2 - 11-[(Z)-(3-nitrophenyl)methylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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