N-[(Z)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]furan-2-carboxamide
Formula:C19H11N5O6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]furan-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C19H11N5O6S2 |
| Smiles | [O-][N+](c(cc1)cc2c1nc(Sc(ccc(/C=N\NC(c1ccco1)=O)c1)c1[N+]([O-])=O)s2)=O |
| InChI | InChI=1S/C19H11N5O6S2/c25-18(15-2-1-7-30-15)22-20-10-11-3-6-16(14(8-11)24(28)29)31-19-21-13-5-4-12(23(26)27)9-17(13)32-19/h1-10H,(H,22,25) |
| InChIK | YOPKCMGJQLZJJE-UHFFFAOYSA-N |
| TotalMolweight | 469.457 |
| Molweight | 469.457 |
| MonoisotopicMass | 469.015075 |
| CLogP | 2.8701 |
| CLogS | -6.945 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 330.57 |
| Relative PSA | 0.48335 |
| PolarSurfaceArea | 212.67 |
| Druglikeness | -0.34559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]furan-2-carboxamide | 2 - N-[(Z)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]furan-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off