2-(2-nitrophenyl)-N-[(Z)-(2-phenylsulfanylphenyl)methylideneamino]acetamide
Formula:C21H17N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-nitrophenyl)-N-[(Z)-(2-phenylsulfanylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-nitrophenyl)-N-[(Z)-(2-phenylsulfanylphenyl)methylideneamino]acetamide |
| MolecularFormula | C21H17N3O3S |
| Smiles | [O-][N+](c1c(CC(N/N=C\c(cccc2)c2Sc2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C21H17N3O3S/c25-21(14-16-8-4-6-12-19(16)24(26)27)23-22-15-17-9-5-7-13-20(17)28-18-10-2-1-3-11-18/h1-13,15H,14H2,(H,23,25) |
| InChIK | FKSRTIJQEYDKPX-UHFFFAOYSA-N |
| TotalMolweight | 391.45 |
| Molweight | 391.45 |
| MonoisotopicMass | 391.099062 |
| CLogP | 4.0992 |
| CLogS | -5.932 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 301.67 |
| Relative PSA | 0.27818 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -0.52715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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