4-fluoro-N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide
Formula:C19H11N4O4FS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-fluoro-N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H11N4O4FS2 |
| Smiles | [O-][N+](c(cc1)cc2c1nc(Sc1ccc(/C=N\NC(c(cc3)ccc3F)=O)o1)s2)=O |
| InChI | InChI=1S/C19H11FN4O4S2/c20-12-3-1-11(2-4-12)18(25)23-21-10-14-6-8-17(28-14)30-19-22-15-7-5-13(24(26)27)9-16(15)29-19/h1-10H,(H,23,25) |
| InChIK | UTOXGZQWUOMUIS-UHFFFAOYSA-N |
| TotalMolweight | 442.45 |
| Molweight | 442.45 |
| MonoisotopicMass | 442.020574 |
| CLogP | 3.9899 |
| CLogS | -6.562 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 313.25 |
| Relative PSA | 0.41296 |
| PolarSurfaceArea | 166.85 |
| Druglikeness | 0.27751 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-fluoro-N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide | 2 - 4-fluoro-N-[(Z)-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off