N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
Formula:C16H15N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide |
| MolecularFormula | C16H15N3O4S |
| Smiles | C=CCc(cccc1)c1OCC(N/N=C\c1cc([N+]([O-])=O)cs1)=O |
| InChI | InChI=1S/C16H15N3O4S/c1-2-5-12-6-3-4-7-15(12)23-10-16(20)18-17-9-14-8-13(11-24-14)19(21)22/h2-4,6-9,11H,1,5,10H2,(H,18,20) |
| InChIK | VTKDLVWJMRJSBO-UHFFFAOYSA-N |
| TotalMolweight | 345.378 |
| Molweight | 345.378 |
| MonoisotopicMass | 345.078327 |
| CLogP | 2.7499 |
| CLogS | -4.683 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 268.66 |
| Relative PSA | 0.36027 |
| PolarSurfaceArea | 124.75 |
| Druglikeness | -2.4488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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