5-nitro-N-[(Z)-(3-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
Formula:C16H10N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-(3-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-(3-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C16H10N4O5S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c1cc([N+]([O-])=O)ccc1)=O)c2)=O |
| InChI | InChI=1S/C16H10N4O5S/c21-16(18-17-9-10-2-1-3-12(6-10)19(22)23)15-8-11-7-13(20(24)25)4-5-14(11)26-15/h1-9H,(H,18,21) |
| InChIK | RBXVSYWBOQKWJH-UHFFFAOYSA-N |
| TotalMolweight | 370.344 |
| Molweight | 370.344 |
| MonoisotopicMass | 370.037191 |
| CLogP | 2.2796 |
| CLogS | -5.99 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 264.87 |
| Relative PSA | 0.44252 |
| PolarSurfaceArea | 161.34 |
| Druglikeness | 0.62909 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| 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 |
| AcidicOxygens | 2 |
| StereoCon |
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