2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
Formula:C22H17N3O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C22H17N3O3S |
| Smiles | [O-][N+](c1c(/C=N\NC(CSC2c(cccc3)c3-c3c2cccc3)=O)cccc1)=O |
| InChI | InChI=1S/C22H17N3O3S/c26-21(24-23-13-15-7-1-6-12-20(15)25(27)28)14-29-22-18-10-4-2-8-16(18)17-9-3-5-11-19(17)22/h1-13,22H,14H2,(H,24,26) |
| InChIK | NHMWTUSSUWNZTH-UHFFFAOYSA-N |
| TotalMolweight | 403.461 |
| Molweight | 403.461 |
| MonoisotopicMass | 403.099062 |
| CLogP | 3.8303 |
| CLogS | -8.398 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 300.67 |
| Relative PSA | 0.27911 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | 0.68157 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide | 2 - 2-(9H-fluoren-9-ylsulfanyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off