N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Formula:C16H10N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C16H10N4O6S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c(cc(cc1)O)c1[N+]([O-])=O)=O)c2)=O |
| InChI | InChI=1S/C16H10N4O6S/c21-12-2-3-13(20(25)26)10(6-12)8-17-18-16(22)15-7-9-5-11(19(23)24)1-4-14(9)27-15/h1-8,21H,(H,18,22) |
| InChIK | FHWZHHPOKXEELE-UHFFFAOYSA-N |
| TotalMolweight | 386.343 |
| Molweight | 386.343 |
| MonoisotopicMass | 386.032106 |
| CLogP | 1.9339 |
| CLogS | -5.694 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 271.22 |
| Relative PSA | 0.48046 |
| PolarSurfaceArea | 181.57 |
| Druglikeness | 0.623 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| AcidicOxygens | 2 |
| StereoCon |
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