N-[(Z)-(3-chlorophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Formula:C16H10N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C16H10N3O3ClS |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c1cccc(Cl)c1)=O)c2)=O |
| InChI | InChI=1S/C16H10ClN3O3S/c17-12-3-1-2-10(6-12)9-18-19-16(21)15-8-11-7-13(20(22)23)4-5-14(11)24-15/h1-9H,(H,19,21) |
| InChIK | BOEFEKKWJMUJFM-UHFFFAOYSA-N |
| TotalMolweight | 359.792 |
| Molweight | 359.792 |
| MonoisotopicMass | 359.013139 |
| CLogP | 3.8072 |
| CLogS | -6.266 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.62 |
| Relative PSA | 0.3382 |
| PolarSurfaceArea | 115.52 |
| Druglikeness | 0.66357 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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