N-[(Z)-1-benzothiophen-3-ylmethylideneamino]-3,5-dinitrobenzamide
Formula:C16H10N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1-benzothiophen-3-ylmethylideneamino]-3,5-dinitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-1-benzothiophen-3-ylmethylideneamino]-3,5-dinitrobenzamide |
| MolecularFormula | C16H10N4O5S |
| Smiles | [O-][N+](c1cc(C(N/N=C\c2csc3c2cccc3)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C16H10N4O5S/c21-16(10-5-12(19(22)23)7-13(6-10)20(24)25)18-17-8-11-9-26-15-4-2-1-3-14(11)15/h1-9H,(H,18,21) |
| InChIK | QSIVJQKGFXKILH-UHFFFAOYSA-N |
| TotalMolweight | 370.344 |
| Molweight | 370.344 |
| MonoisotopicMass | 370.037191 |
| CLogP | 2.1974 |
| CLogS | -5.88 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 264.87 |
| Relative PSA | 0.44252 |
| PolarSurfaceArea | 161.34 |
| Druglikeness | -0.22447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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