2-amino-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
Formula:C12H10N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C12H10N4O3S |
| Smiles | Nc(cccc1)c1C(N/N=C\c1ccc([N+]([O-])=O)s1)=O |
| InChI | InChI=1S/C12H10N4O3S/c13-10-4-2-1-3-9(10)12(17)15-14-7-8-5-6-11(20-8)16(18)19/h1-7H,13H2,(H,15,17) |
| InChIK | BMIWDGOFMMIACI-UHFFFAOYSA-N |
| TotalMolweight | 290.302 |
| Molweight | 290.302 |
| MonoisotopicMass | 290.047361 |
| CLogP | 1.6589 |
| CLogS | -4.417 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 215.12 |
| Relative PSA | 0.47443 |
| PolarSurfaceArea | 141.54 |
| Druglikeness | 0.42329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-amino-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide | 2 - 2-amino-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
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