N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide
Formula:C19H15N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C19H15N3O4S |
| Smiles | [O-][N+](c1ccc(COc2c(/C=N\NC(c3cccs3)=O)cccc2)cc1)=O |
| InChI | InChI=1S/C19H15N3O4S/c23-19(18-6-3-11-27-18)21-20-12-15-4-1-2-5-17(15)26-13-14-7-9-16(10-8-14)22(24)25/h1-12H,13H2,(H,21,23) |
| InChIK | LKNCNTIPEMLNNJ-UHFFFAOYSA-N |
| TotalMolweight | 381.411 |
| Molweight | 381.411 |
| MonoisotopicMass | 381.078327 |
| CLogP | 3.4947 |
| CLogS | -5.532 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.12 |
| Relative PSA | 0.33362 |
| PolarSurfaceArea | 124.75 |
| Druglikeness | 0.86007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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